A0A077YZD6_TRITR Loading...

WD repeat-containing protein 75 second beta-propeller domain-containing protein

AlphaFold DB , UniProt , Accession A0A077YZD6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 734 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M49.2Very low76.6Confident197 Ų19764.4 Ų64.497%0.9730%0.3SS*.  0116.60-78.7177.2177.500107.3R3 L628M1-R3 PolarHBondContact O-N 3.1Å; M1-L628 WeakPolarHBondContact CA-O 3.12Å
2Q59.3Low76.9Confident50 Ų5062 Ų6223%0.23429%0.291CS..  trans-64.7132.5167.2-84.4175.2-51.900107.8Y4 T629 D673Q2-Y4 PolarHBondContact O-N 3.1Å; Q2-T629 PolarHBondContact N-OG1 2.82Å; Q2-T629 PolarHBondContact O-OG1 3.38Å; Q2-D673 PolarHBondContact NE2-OD2 3.44Å
3R72.9Confident77.4Confident160 Ų16063.7 Ų63.760%0.60429%0.293SS*.  trans-65.6134.5171.1-74.5-178.7177.6166.5-2.6107.3M1 D673M1-R3 PolarHBondContact O-N 3.1Å; R3-D673 PolarHBondContact O-N 3Å
4Y84.4Confident78.1Confident80 Ų8059.6 Ų59.631%0.31428%0.275SS..EExtended strand (participates in β ladder)trans-130.8152.8179.168.5-88.9000109.5Q2 V6 T629 E630 I631 E632 V670 E671Q2-Y4 PolarHBondContact O-N 3.1Å; Y4-V6 HydrophobicContact CD2-CG2 3.71Å; Y4-V6 HydrophobicContact CE2-CG2 3.72Å; Y4-T629 HydrophobicContact CD1-CG2 3.26Å; Y4-T629 HydrophobicContact CE1-CG2 3.35Å; Y4-T629 HydrophobicContact CG-CG2 4.22Å; Y4-E630 WeakPolarHBondContact CE1-O 3.42Å; Y4-E630 VanDerWaalsContact CZ-O 3.28Å; Y4-E630 PolarHBondContact OH-O 3.14Å; Y4-I631 HydrophobicContact CD2-CG1 4.33Å; Y4-I631 HydrophobicContact CD2-CG2 4.38Å; Y4-I631 HydrophobicContact CE2-CB 4.31Å; Y4-I631 HydrophobicContact CE2-CG1 4.24Å; Y4-I631 HydrophobicContact CE2-CG2 3.96Å; Y4-E632 PolarHBondContact OH-N 2.85Å; Y4-V670 HydrophobicContact CD2-CG1 4.39Å; Y4-E671 CarbonylContact C-O 3.59Å; Y4-E671 VanDerWaalsContact CA-O 3.25Å; Y4-E671 WeakPolarHBondContact CA-O 3.45Å
5N84.9Confident78.7Confident46 Ų4656.3 Ų56.325%0.24626%0.26CS..EExtended strand (participates in β ladder)trans-125.4136.2167.5-167.6-1.7000108.9V670 E671N5-V670 WeakPolarHBondContact O-CA 3.35Å; N5-E671 PolarHBondContact N-O 3.28Å; N5-E671 PolarHBondContact O-N 3.08Å
6V88Confident79.1Confident28 Ų2858 Ų5817%0.1726%0.263CS..EExtended strand (participates in β ladder)trans-107.2108.9178.1-174.40000108.1Y4 I631 P634 Y660 Y668 V670Y4-V6 HydrophobicContact CD2-CG2 3.71Å; Y4-V6 HydrophobicContact CE2-CG2 3.72Å; V6-I631 HydrophobicContact CG2-CG2 3.7Å; V6-P634 HydrophobicContact CB-CG 4.17Å; V6-P634 HydrophobicContact CG1-CG 3.53Å; V6-Y660 HydrophobicContact CG1-CE1 4.15Å; V6-Y660 WeakPolarHBondContact CG1-OH 3.43Å; V6-Y668 HydrophobicContact CG1-CD1 3.84Å; V6-Y668 HydrophobicContact CG1-CG 4.42Å; V6-V670 HydrophobicContact CG2-CG2 4.44Å
7R86.5Confident79.6Confident58 Ų5855.3 Ų55.322%0.21925%0.253CS..EExtended strand (participates in β ladder)trans-112.8136.1-179.7-72.3179.5163.5153.9-10.7110.5I9 Y668 R669 E671 E679R7-I9 PolarHBondContact O-N 2.69Å; R7-Y668 CarbonylContact O-C 3.57Å; R7-Y668 WeakPolarHBondContact O-CA 3.49Å; R7-R669 PolarHBondContact N-O 2.96Å; R7-R669 PolarHBondContact O-N 2.91Å; R7-E671 IonicContact CZ-OE2 2.68Å; R7-E671 IonicContact NE-OE2 2.95Å; R7-E671 IonicContact NH1-OE2 2.74Å; R7-E671 PolarHBondContact NH1-OE2 3.48Å; R7-E679 IonicContact CZ-OE1 2.84Å; R7-E679 IonicContact NE-OE1 2.72Å; R7-E679 PolarHBondContact NE-OE1 3.06Å; R7-E679 IonicContact NH2-OE1 2.65Å; R7-E679 PolarHBondContact NH2-OE1 3Å
8C84.4Confident80.1Confident36 Ų3654.2 Ų54.224%0.24325%0.251CS..EExtended strand (participates in β ladder)trans-80110167-171.60000107.5R33 Y668C8-R33 PolarHBondContact SG-NH1 3.27Å; C8-R33 VanDerWaalsContact SG-NH1 3.39Å; C8-Y668 HydrophobicContact CB-CD1 3.93Å; C8-Y668 HydrophobicContact CB-CE1 3.66Å
9I83.8Confident80.7Confident47 Ų4751.4 Ų51.424%0.24124%0.239CC..EExtended strand (participates in β ladder)trans-93.6-16-175.553.8139.4000113R7 L366 N369 Y659 M667 R669R7-I9 PolarHBondContact O-N 2.69Å; I9-L366 HydrophobicContact CD1-CD2 3.72Å; I9-N369 PolarHBondContact O-ND2 2.9Å; I9-Y659 HydrophobicContact CD1-CD1 3.9Å; I9-Y659 HydrophobicContact CD1-CE1 3.44Å; I9-Y659 VanDerWaalsContact CD1-CE1 3.44Å; I9-Y659 HydrophobicContact CG1-CE1 4.26Å; I9-M667 HydrophobicContact CD1-CG 3.97Å; I9-M667 HydrophobicContact CG1-CB 4.35Å; I9-M667 HydrophobicContact CG1-CG 4.11Å; I9-M667 WeakPolarHBondContact CG1-O 3.38Å; I9-M667 PolarHBondContact N-O 3.43Å; I9-R669 HydrophobicContact CB-CB 4.41Å; I9-R669 HydrophobicContact CG1-CB 4.1Å; I9-R669 HydrophobicContact CG2-CB 3.46Å; I9-R669 VanDerWaalsContact CG2-CB 3.46Å; I9-R669 HydrophobicContact CG2-CG 4.3Å
10G79.3Confident81.3Confident2 Ų249.1 Ų49.12%0.02123%0.228CC..EExtended strand (participates in β ladder)trans176.8-179.1-17200000113N369 M667G10-N369 WeakPolarHBondContact CA-ND2 3.36Å; G10-N369 WeakPolarHBondContact CA-OD1 3.44Å; G10-M667 PolarHBondContact N-O 3.18Å; G10-M667 WeakPolarHBondContact O-CA 3.35Å; G10-M667 WeakPolarHBondContact O-CB 3.45Å; G10-M667 PolarHBondContact O-N 3.48Å
11G70.2Confident81.7Confident4 Ų447.2 Ų47.24%0.04122%0.219CC..  trans64.6128.8-169.600000111.9I315 Y364 N369 Q665G11-I315 VanDerWaalsContact CA-CD1 3.44Å; G11-Y364 PolarHBondContact N-OH 2.75Å; G11-N369 PolarHBondContact N-OD1 2.92Å; G11-Q665 CarbonylContact C-O 3.53Å; G11-Q665 WeakPolarHBondContact CA-O 3.35Å
12N79.5Confident83.6Confident36 Ų3637.9 Ų37.919%0.19317%0.173CC..  trans-161.1149.8173.3-68.5-68.5000109.7L14 V32 R33 N297 Q665N12-L14 PolarHBondContact O-N 3.45Å; N12-V32 HydrophobicContact CB-CG1 3.42Å; N12-V32 VanDerWaalsContact CB-CG1 3.42Å; N12-V32 VanDerWaalsContact ND2-CG1 3.31Å; N12-V32 WeakPolarHBondContact ND2-CG1 3.34Å; N12-R33 WeakPolarHBondContact OD1-CD 3.47Å; N12-R33 WeakPolarHBondContact OD1-CG 3.06Å; N12-N297 PolarHBondContact O-ND2 3.48Å; N12-N297 PolarHBondContact O-OD1 3.33Å; N12-Q665 PolarHBondContact N-O 2.61Å
13R84.3Confident84.7Confident84 Ų8437 Ų3732%0.31717%0.17SC..  trans-80.8105170.1-76.7-175-178.8159.37.2111.1I15 R16 N297 K663 D664 Q665R13-I15 PolarHBondContact O-N 2.78Å; R13-R16 HydrophobicContact CB-CG 3.82Å; R13-N297 VanDerWaalsContact CA-OD1 3.32Å; R13-N297 WeakPolarHBondContact CA-OD1 3.4Å; R13-K663 PolarHBondContact NH2-O 3.26Å; R13-D664 IonicContact CZ-OD1 3.76Å; R13-D664 IonicContact NH1-OD1 3.63Å; R13-D664 PolarHBondContact NH1-OD1 3.44Å; R13-D664 IonicContact NH2-OD1 3.48Å; R13-Q665 HydrophobicContact CG-CB 4.28Å; R13-Q665 HydrophobicContact CG-CG 4.08Å
14L87.4Confident85.1Confident6 Ų633.9 Ų33.93%0.03117%0.165CC..THydrogen-bonded Turntrans-68.3-19.5174.3-56.6177.1000112.7N12 V32 Y39 N297 I299 I312N12-L14 PolarHBondContact O-N 3.45Å; L14-V32 HydrophobicContact CD2-CG2 3.9Å; L14-Y39 HydrophobicContact CD2-CE2 4.31Å; L14-Y39 WeakPolarHBondContact CD2-OH 3.21Å; L14-N297 PolarHBondContact N-OD1 3.45Å; L14-I299 HydrophobicContact CB-CD1 4.19Å; L14-I312 HydrophobicContact CD1-CG2 4.02Å
15I86.4Confident85Confident10 Ų1030.4 Ų30.45%0.05115%0.153CC..THydrogen-bonded Turntrans-105.68.6-165.167.3167.5000113.8R13 S17 W280 L294 I299R13-I15 PolarHBondContact O-N 2.78Å; I15-S17 PolarHBondContact O-N 3.16Å; I15-W280 VanDerWaalsContact O-CD1 3.31Å; I15-W280 PolarHBondContact O-NE1 3.17Å; I15-L294 WeakPolarHBondContact CD1-O 3.46Å; I15-L294 WeakPolarHBondContact CG2-O 3.45Å; I15-I299 HydrophobicContact CG2-CG1 4.49Å
16R84.6Confident85.2Confident84 Ų8433.4 Ų33.432%0.31717%0.166SC..SBendtrans-59.8-37.7177.8-74.6-171.4-179.8-148.8-7.6111.3R13 E56 D664R13-R16 HydrophobicContact CB-CG 3.82Å; R16-E56 IonicContact CZ-OE1 3.51Å; R16-E56 IonicContact NE-OE1 3.62Å; R16-E56 IonicContact NH1-OE1 3.13Å; R16-E56 PolarHBondContact NH1-OE1 3.04Å; R16-E56 IonicContact NH1-OE2 2.79Å; R16-D664 IonicContact CZ-OD2 2.69Å; R16-D664 IonicContact NH2-OD1 3.48Å; R16-D664 PolarHBondContact NH2-OD1 2.78Å; R16-D664 IonicContact NH2-OD2 3.01Å; R16-D664 PolarHBondContact NH2-OD2 3.34Å
17S87.7Confident85.3Confident12 Ų1232.8 Ų32.88%0.08416%0.161CC..SBendtrans-130.8156.2-175.4-57.90000110I15 T58I15-S17 PolarHBondContact O-N 3.16Å; S17-T58 WeakPolarHBondContact CB-O 3.42Å; S17-T58 PolarHBondContact OG-O 2.94Å
18P88.6Confident85.6Confident35 Ų3530 Ų3023%0.22715%0.151CC..  trans-61.1136.1176.124.6-33.4000110.5W280P18-W280 HydrophobicContact CB-CB 4.43Å; P18-W280 HydrophobicContact CB-CD2 4.13Å; P18-W280 HydrophobicContact CB-CE3 4.1Å; P18-W280 HydrophobicContact CB-CG 4.28Å; P18-W280 HydrophobicContact CG-CE3 4.42Å
19P92.7Very high86.1Confident2 Ų228.3 Ų28.31%0.01314%0.139CC..  trans-71.4163.1173.533-36.2000110.4L28 A29 F282 A291 S293 I299P19-L28 HydrophobicContact CB-CD1 3.99Å; P19-L28 HydrophobicContact CB-CD2 4.14Å; P19-L28 HydrophobicContact CB-CG 4.07Å; P19-A29 WeakPolarHBondContact CA-O 3.42Å; P19-F282 HydrophobicContact CG-CB 4.34Å; P19-F282 WeakPolarHBondContact O-CD2 2.87Å; P19-F282 VanDerWaalsContact O-CG 3.25Å; P19-F282 WeakPolarHBondContact O-CG 3.39Å; P19-A291 HydrophobicContact CG-CB 4.14Å; P19-S293 WeakPolarHBondContact CD-OG 3.38Å; P19-I299 HydrophobicContact CB-CD1 4.27Å; P19-I299 HydrophobicContact CG-CD1 4.47Å
20C91.4Very high86.6Confident4 Ų426.1 Ų26.13%0.02713%0.128CC..EExtended strand (participates in β ladder)trans-129.7122.6-176.3-173.30000110.7A29 L60 Y62C20-A29 HydrophobicContact CB-CB 4.43Å; C20-A29 PolarHBondContact N-O 2.81Å; C20-A29 PolarHBondContact O-N 3.46Å; C20-L60 HydrophobicContact CB-CB 3.99Å; C20-Y62 VanDerWaalsContact SG-CB 3.56Å; C20-Y62 PolarHBondContact SG-N 3.35Å
21F91.1Very high87.2Confident10 Ų1026.1 Ų26.14%0.04413%0.128CC..EExtended strand (participates in β ladder)trans-73138.8171.8-76.2-68.5000111L28 F282 S284 M289 A291 L301F21-L28 HydrophobicContact CD1-CD1 3.66Å; F21-L28 HydrophobicContact CD2-CD1 4.46Å; F21-L28 HydrophobicContact CE1-CD1 3.66Å; F21-L28 HydrophobicContact CE2-CD1 4.43Å; F21-L28 HydrophobicContact CG-CD1 4.08Å; F21-L28 HydrophobicContact CZ-CD1 4.06Å; F21-F282 HydrophobicContact CB-CE1 4.11Å; F21-F282 AromaticContact CD2-CD1 3.44Å; F21-F282 HydrophobicContact CD2-CD1 3.44Å; F21-F282 VanDerWaalsContact CD2-CD1 3.44Å; F21-F282 AromaticContact CD2-CE1 3.71Å; F21-F282 HydrophobicContact CD2-CE1 3.71Å; F21-F282 AromaticContact CE2-CD1 4Å; F21-F282 HydrophobicContact CE2-CD1 4Å; F21-F282 HydrophobicContact CG-CD1 4.34Å; F21-F282 HydrophobicContact CG-CE1 4.33Å; F21-S284 VanDerWaalsContact CD2-CB 3.48Å; F21-M289 HydrophobicContact CE1-CB 4.44Å; F21-M289 HydrophobicContact CZ-CB 4.05Å; F21-A291 HydrophobicContact CE2-CB 3.78Å; F21-A291 HydrophobicContact CZ-CB 3.64Å; F21-L301 HydrophobicContact CE1-CD2 4Å; F21-L301 HydrophobicContact CZ-CD2 3.86Å
22L88.8Confident88.1Confident1 Ų126.2 Ų26.21%0.00513%0.128CC..EExtended strand (participates in β ladder)trans-127.3164176.6-50.8172.7000110.1N24 G25 Q26 L27 A29 L38 Y62 L72 T86L22-N24 VanDerWaalsContact C-N 3.34Å; L22-N24 PolarHBondContact O-N 3.09Å; L22-G25 WeakPolarHBondContact O-CA 3.29Å; L22-G25 PolarHBondContact O-N 3.25Å; L22-Q26 PolarHBondContact O-N 3.16Å; L22-L27 HydrophobicContact CB-CB 4.11Å; L22-L27 HydrophobicContact CD1-CB 4.49Å; L22-L27 PolarHBondContact N-O 2.88Å; L22-L27 PolarHBondContact O-N 2.87Å; L22-A29 HydrophobicContact CD1-CB 3.81Å; L22-A29 HydrophobicContact CG-CB 4.23Å; L22-L38 HydrophobicContact CD1-CD2 3.67Å; L22-Y62 HydrophobicContact CD2-CD2 3.45Å; L22-Y62 VanDerWaalsContact CD2-CD2 3.45Å; L22-Y62 HydrophobicContact CD2-CE2 4.28Å; L22-Y62 HydrophobicContact CD2-CG 4.04Å; L22-L72 HydrophobicContact CD1-CD2 4.18Å; L22-L72 HydrophobicContact CD2-CB 4.29Å; L22-L72 HydrophobicContact CD2-CD1 3.76Å; L22-L72 HydrophobicContact CD2-CD2 4.46Å; L22-L72 HydrophobicContact CD2-CG 4.38Å; L22-T86 HydrophobicContact CD1-CG2 3.74Å
23E82.5Confident88.4Confident33 Ų3327.9 Ų27.915%0.15413%0.131CC..G310 helixtrans48.555.4169-58.7-171.3-173.700112.3G25 Q26 L27 T86 K87E23-G25 PolarHBondContact O-N 2.74Å; E23-Q26 WeakPolarHBondContact O-CB 3.17Å; E23-Q26 WeakPolarHBondContact O-CG 3.15Å; E23-Q26 PolarHBondContact O-N 2.91Å; E23-Q26 VanDerWaalsContact O-N 3.16Å; E23-L27 HydrophobicContact CG-CD1 4.41Å; E23-T86 PolarHBondContact OE1-OG1 2.89Å; E23-K87 WeakPolarHBondContact OE1-CG 3.5Å
24N80.4Confident88.5Confident93 Ų9325.1 Ų25.150%0.49713%0.125SC..G310 helixtrans58.131.4-179.8-46.96.9000113.1L22 E286 S287L22-N24 VanDerWaalsContact C-N 3.34Å; L22-N24 PolarHBondContact O-N 3.09Å; N24-E286 WeakPolarHBondContact CA-OE2 3.34Å; N24-E286 HydrophobicContact CB-CB 4.45Å; N24-E286 VanDerWaalsContact CB-OE2 3.26Å; N24-E286 WeakPolarHBondContact CB-OE2 3.29Å; N24-E286 PolarHBondContact OD1-OE2 2.97Å; N24-S287 WeakPolarHBondContact O-CB 3.37Å
25G83.2Confident88.6Confident7 Ų725.9 Ų25.97%0.07213%0.13CC..G310 helixtrans8013.2178.400000115.3L22 E23 A41L22-G25 WeakPolarHBondContact O-CA 3.29Å; L22-G25 PolarHBondContact O-N 3.25Å; E23-G25 PolarHBondContact O-N 2.74Å; G25-A41 WeakPolarHBondContact O-CB 3.17Å
26Q87.7Confident88.9Confident109 Ų10925.4 Ų25.451%0.50913%0.127SC..THydrogen-bonded Turntrans-75-29173.1-66.7-173.3-32.100112.7L22 E23 A41L22-Q26 PolarHBondContact O-N 3.16Å; E23-Q26 WeakPolarHBondContact O-CB 3.17Å; E23-Q26 WeakPolarHBondContact O-CG 3.15Å; E23-Q26 PolarHBondContact O-N 2.91Å; E23-Q26 VanDerWaalsContact O-N 3.16Å; Q26-A41 VanDerWaalsContact O-CB 3.3Å; Q26-A41 WeakPolarHBondContact O-CB 3.48Å; Q26-A41 PolarHBondContact O-N 2.94Å
27L91Very high89.2Confident16 Ų1621.6 Ų21.68%0.08411%0.113CC..EExtended strand (participates in β ladder)trans-120.3148.3179.2-65.1176.5000110.7L22 E23 Y39 C47L22-L27 HydrophobicContact CB-CB 4.11Å; L22-L27 HydrophobicContact CD1-CB 4.49Å; L22-L27 PolarHBondContact N-O 2.88Å; L22-L27 PolarHBondContact O-N 2.87Å; E23-L27 HydrophobicContact CG-CD1 4.41Å; L27-Y39 CarbonylContact C-O 3.58Å; L27-Y39 VanDerWaalsContact CA-O 3.25Å; L27-Y39 WeakPolarHBondContact CA-O 3.46Å; L27-C47 HydrophobicContact CD2-CB 4Å
28L93.1Very high89.4Confident0 Ų021 Ų210%011%0.109CC..EExtended strand (participates in β ladder)trans-122.1116.8173.2-17080000109.3P19 F21 Y39 A291 I299 L301 I312P19-L28 HydrophobicContact CB-CD1 3.99Å; P19-L28 HydrophobicContact CB-CD2 4.14Å; P19-L28 HydrophobicContact CB-CG 4.07Å; F21-L28 HydrophobicContact CD1-CD1 3.66Å; F21-L28 HydrophobicContact CD2-CD1 4.46Å; F21-L28 HydrophobicContact CE1-CD1 3.66Å; F21-L28 HydrophobicContact CE2-CD1 4.43Å; F21-L28 HydrophobicContact CG-CD1 4.08Å; F21-L28 HydrophobicContact CZ-CD1 4.06Å; L28-Y39 PolarHBondContact N-O 3.4Å; L28-Y39 PolarHBondContact O-N 2.83Å; L28-A291 HydrophobicContact CD1-CB 3.99Å; L28-I299 HydrophobicContact CD2-CD1 4.21Å; L28-I299 HydrophobicContact CD2-CG2 3.94Å; L28-L301 HydrophobicContact CD2-CD2 4.28Å; L28-I312 HydrophobicContact CD2-CD1 3.85Å
29A93.9Very high89.6Confident0 Ų020.5 Ų20.50%010%0.103CC..EExtended strand (participates in β ladder)trans-92.6133.5176.100000111.2P19 C20 L22 V37 L38 L60 L72P19-A29 WeakPolarHBondContact CA-O 3.42Å; C20-A29 HydrophobicContact CB-CB 4.43Å; C20-A29 PolarHBondContact N-O 2.81Å; C20-A29 PolarHBondContact O-N 3.46Å; L22-A29 HydrophobicContact CD1-CB 3.81Å; L22-A29 HydrophobicContact CG-CB 4.23Å; A29-V37 CarbonylContact C-O 3Å; A29-V37 WeakPolarHBondContact CA-O 3.43Å; A29-L38 HydrophobicContact CB-CD2 3.54Å; A29-L60 HydrophobicContact CB-CD1 3.85Å; A29-L72 HydrophobicContact CB-CD2 4.4Å
30C93.9Very high89.5Confident0 Ų021 Ų210%011%0.107CC..EExtended strand (participates in β ladder)trans-125.5142.6177.7-58.10000110.6V32 A36 V37 Y39 I299C30-V32 HydrophobicContact CB-CG2 4.36Å; C30-A36 WeakPolarHBondContact O-CA 3.35Å; C30-V37 PolarHBondContact N-O 2.92Å; C30-V37 PolarHBondContact O-N 2.78Å; C30-Y39 HydrophobicContact CB-CD2 4.45Å; C30-Y39 HydrophobicContact CB-CE2 4.08Å; C30-I299 WeakPolarHBondContact SG-CD1 3.32Å
31C92.4Very high89.5Confident3 Ų321.3 Ų21.32%0.0211%0.11CC..EExtended strand (participates in β ladder)trans-77123.3171.9-59.10000109.7V57 L60C31-V57 HydrophobicContact CB-CG1 4.42Å; C31-V57 WeakPolarHBondContact CB-O 3.24Å; C31-L60 VanDerWaalsContact SG-CG 3.56Å
32V89Confident89.4Confident6 Ų627.3 Ų27.34%0.03614%0.137CC..EExtended strand (participates in β ladder)trans-136.494-176.6-176.90000108.8N12 L14 C30 S34 T35 V37N12-V32 HydrophobicContact CB-CG1 3.42Å; N12-V32 VanDerWaalsContact CB-CG1 3.42Å; N12-V32 VanDerWaalsContact ND2-CG1 3.31Å; N12-V32 WeakPolarHBondContact ND2-CG1 3.34Å; L14-V32 HydrophobicContact CD2-CG2 3.9Å; C30-V32 HydrophobicContact CB-CG2 4.36Å; V32-S34 PolarHBondContact O-N 2.93Å; V32-S34 VanDerWaalsContact O-N 3.15Å; V32-T35 CarbonylContact C-O 3.48Å; V32-T35 PolarHBondContact N-O 2.61Å; V32-T35 PolarHBondContact O-N 2.96Å; V32-T35 VanDerWaalsContact O-O 3.08Å; V32-T35 PolarHBondContact O-OG1 3.36Å; V32-V37 HydrophobicContact CB-CG2 3.67Å; V32-V37 HydrophobicContact CG1-CG2 4.15Å; V32-V37 HydrophobicContact CG2-CB 3.93Å; V32-V37 HydrophobicContact CG2-CG2 3.58Å
33R85.3Confident89.4Confident70 Ų7030.6 Ų30.626%0.26416%0.158SC..THydrogen-bonded Turntrans50.6-121.2-175.5-59.8-176.969.3-140.4-3110.5C8 N12 T35 E56 V57 Y668C8-R33 PolarHBondContact SG-NH1 3.27Å; C8-R33 VanDerWaalsContact SG-NH1 3.39Å; N12-R33 WeakPolarHBondContact OD1-CD 3.47Å; N12-R33 WeakPolarHBondContact OD1-CG 3.06Å; R33-T35 VanDerWaalsContact C-N 3.28Å; R33-T35 PolarHBondContact O-N 3.12Å; R33-E56 CarbonylContact O-C 3.53Å; R33-E56 WeakPolarHBondContact O-CA 3.42Å; R33-E56 WeakPolarHBondContact O-CG 3.47Å; R33-V57 PolarHBondContact O-N 3.07Å; R33-Y668 PolarHBondContact NH2-OH 3.22Å
34S87.7Confident89.7Confident27 Ų2729.8 Ų29.819%0.18916%0.158CC..THydrogen-bonded Turntrans-87.713.2179.761.60000114.7V32 H52 G53 E55V32-S34 PolarHBondContact O-N 2.93Å; V32-S34 VanDerWaalsContact O-N 3.15Å; S34-H52 WeakPolarHBondContact O-CB 3.35Å; S34-H52 PolarHBondContact O-N 2.93Å; S34-G53 WeakPolarHBondContact CB-O 3.31Å; S34-G53 PolarHBondContact OG-O 2.82Å; S34-E55 WeakPolarHBondContact CA-O 3.4Å; S34-E55 WeakPolarHBondContact CB-O 3.29Å
35T89Confident90Very high21 Ų2130.8 Ų30.813%0.12916%0.16CC..EExtended strand (participates in β ladder)trans-126.9149.5179.467.60000111.4V32 R33 L50 R51V32-T35 CarbonylContact C-O 3.48Å; V32-T35 PolarHBondContact N-O 2.61Å; V32-T35 PolarHBondContact O-N 2.96Å; V32-T35 VanDerWaalsContact O-O 3.08Å; V32-T35 PolarHBondContact O-OG1 3.36Å; R33-T35 VanDerWaalsContact C-N 3.28Å; R33-T35 PolarHBondContact O-N 3.12Å; T35-L50 CarbonylContact C-O 3.59Å; T35-L50 VanDerWaalsContact CA-O 3.32Å; T35-L50 WeakPolarHBondContact CA-O 3.46Å; T35-R51 HydrophobicContact CG2-CB 4.21Å; T35-R51 HydrophobicContact CG2-CG 3.76Å
36A91.9Very high90.2Very high0 Ų033.7 Ų33.70%017%0.173CC..EExtended strand (participates in β ladder)trans-99.2113.6161.100000107.7C30 L50 L60C30-A36 WeakPolarHBondContact O-CA 3.35Å; A36-L50 HydrophobicContact CB-CB 4.2Å; A36-L50 HydrophobicContact CB-CD1 4.41Å; A36-L50 PolarHBondContact N-O 3.16Å; A36-L50 PolarHBondContact O-N 2.88Å; A36-L60 HydrophobicContact CB-CD1 4.24Å; A36-L60 HydrophobicContact CB-CD2 3.72Å
37V91.6Very high90.3Very high4 Ų428.9 Ų28.92%0.02415%0.152CC..EExtended strand (participates in β ladder)trans-94.2132.1-177.8-178.10000108.8A29 C30 V32 Y39 I46 E49A29-V37 CarbonylContact C-O 3Å; A29-V37 WeakPolarHBondContact CA-O 3.43Å; C30-V37 PolarHBondContact N-O 2.92Å; C30-V37 PolarHBondContact O-N 2.78Å; V32-V37 HydrophobicContact CB-CG2 3.67Å; V32-V37 HydrophobicContact CG1-CG2 4.15Å; V32-V37 HydrophobicContact CG2-CB 3.93Å; V32-V37 HydrophobicContact CG2-CG2 3.58Å; V37-Y39 HydrophobicContact CB-CE2 3.92Å; V37-Y39 HydrophobicContact CG1-CD2 4.14Å; V37-Y39 HydrophobicContact CG1-CE1 4.35Å; V37-Y39 HydrophobicContact CG1-CE2 3.53Å; V37-I46 HydrophobicContact CG1-CB 4.5Å; V37-I46 HydrophobicContact CG1-CD1 4.24Å; V37-I46 HydrophobicContact CG1-CG1 4.02Å; V37-I46 HydrophobicContact CG1-CG2 3.78Å; V37-E49 HydrophobicContact CG2-CG 4.35Å
38L92.5Very high90.1Very high0 Ų028.1 Ų28.10%015%0.148CC..EExtended strand (participates in β ladder)trans-102122179.9-53.4-177.2000108.9L22 A29 I46 C47 G48 L50 L72 T86 M687L22-L38 HydrophobicContact CD1-CD2 3.67Å; A29-L38 HydrophobicContact CB-CD2 3.54Å; L38-I46 CarbonylContact O-C 3.54Å; L38-C47 PolarHBondContact O-N 2.81Å; L38-G48 PolarHBondContact N-O 3.02Å; L38-G48 PolarHBondContact O-N 3.28Å; L38-L50 HydrophobicContact CD2-CD1 4.43Å; L38-L72 HydrophobicContact CD2-CD2 4.39Å; L38-T86 HydrophobicContact CD1-CG2 4.49Å; L38-M687 HydrophobicContact CD1-CE 4.36Å; L38-M687 HydrophobicContact CD1-SD 3.81Å
39Y92.1Very high90Very high24 Ų2429.9 Ų29.99%0.09416%0.156CC..EExtended strand (participates in β ladder)trans-107.8144.4176.3-65.7-90000110.9L14 L27 L28 C30 V37 A41 G44 E45 I46 I312L14-Y39 HydrophobicContact CD2-CE2 4.31Å; L14-Y39 WeakPolarHBondContact CD2-OH 3.21Å; L27-Y39 CarbonylContact C-O 3.58Å; L27-Y39 VanDerWaalsContact CA-O 3.25Å; L27-Y39 WeakPolarHBondContact CA-O 3.46Å; L28-Y39 PolarHBondContact N-O 3.4Å; L28-Y39 PolarHBondContact O-N 2.83Å; C30-Y39 HydrophobicContact CB-CD2 4.45Å; C30-Y39 HydrophobicContact CB-CE2 4.08Å; V37-Y39 HydrophobicContact CB-CE2 3.92Å; V37-Y39 HydrophobicContact CG1-CD2 4.14Å; V37-Y39 HydrophobicContact CG1-CE1 4.35Å; V37-Y39 HydrophobicContact CG1-CE2 3.53Å; Y39-A41 PolarHBondContact O-N 3.32Å; Y39-G44 WeakPolarHBondContact CD1-O 3.03Å; Y39-E45 CarbonylContact C-O 3.57Å; Y39-E45 VanDerWaalsContact CA-O 3.3Å; Y39-E45 WeakPolarHBondContact CA-O 3.44Å; Y39-I46 HydrophobicContact CD1-CG1 3.9Å; Y39-I46 HydrophobicContact CE1-CD1 4.22Å; Y39-I46 HydrophobicContact CE1-CG1 3.45Å; Y39-I46 VanDerWaalsContact CE1-CG1 3.45Å; Y39-I312 HydrophobicContact CD1-CD1 4.29Å; Y39-I312 HydrophobicContact CD1-CG2 3.81Å; Y39-I312 HydrophobicContact CE1-CG2 3.73Å; Y39-I312 HydrophobicContact CG-CD1 3.94Å; Y39-I312 HydrophobicContact CG-CG2 4.25Å
40S91.9Very high89.8Confident14 Ų1429.9 Ų29.910%0.09816%0.156CC..EExtended strand (participates in β ladder)trans-68.1125165173.80000109.6H42 T43 G44 E45 C47S40-H42 PolarHBondContact O-N 3.21Å; S40-H42 PolarHBondContact OG-N 3.02Å; S40-T43 WeakPolarHBondContact CB-OG1 3.47Å; S40-T43 PolarHBondContact OG-N 2.84Å; S40-T43 VanDerWaalsContact OG-N 3.08Å; S40-T43 PolarHBondContact OG-OG1 2.85Å; S40-G44 VanDerWaalsContact O-CA 3.23Å; S40-G44 WeakPolarHBondContact O-CA 3.46Å; S40-G44 PolarHBondContact O-N 2.83Å; S40-E45 PolarHBondContact N-O 2.94Å; S40-C47 VanDerWaalsContact CB-SG 3.54Å; S40-C47 PolarHBondContact N-SG 2.99Å; S40-C47 VanDerWaalsContact N-SG 3.42Å
41A90.4Very high89.6Confident10 Ų1035.2 Ų35.28%0.08318%0.176CC..THydrogen-bonded Turntrans-67.6-17.5172.900000112.7G25 Q26 Y39 L301G25-A41 WeakPolarHBondContact O-CB 3.17Å; Q26-A41 VanDerWaalsContact O-CB 3.3Å; Q26-A41 WeakPolarHBondContact O-CB 3.48Å; Q26-A41 PolarHBondContact O-N 2.94Å; Y39-A41 PolarHBondContact O-N 3.32Å; A41-L301 HydrophobicContact CB-CD1 3.75Å; A41-L301 WeakPolarHBondContact O-CD1 3.41Å
42H89.4Confident89.3Confident135 Ų13535.2 Ų35.263%0.62518%0.176SC*.THydrogen-bonded Turntrans-92.5-43.5-178.1-65.880.5000112.7S40 Q310S40-H42 PolarHBondContact O-N 3.21Å; S40-H42 PolarHBondContact OG-N 3.02Å; H42-Q310 PolarHBondContact O-OE1 3.49Å
43T89.5Confident88.9Confident70 Ų7035.6 Ų35.643%0.42918%0.18SC..THydrogen-bonded Turntrans-101.5-19.9-176.562.90000112.7S40 E45 Q310S40-T43 WeakPolarHBondContact CB-OG1 3.47Å; S40-T43 PolarHBondContact OG-N 2.84Å; S40-T43 VanDerWaalsContact OG-N 3.08Å; S40-T43 PolarHBondContact OG-OG1 2.85Å; T43-E45 PolarHBondContact O-N 2.87Å; T43-E45 WeakPolarHBondContact OG1-CB 3.37Å; T43-E45 PolarHBondContact OG1-N 3.03Å; T43-E45 PolarHBondContact OG1-OE2 2.77Å; T43-Q310 PolarHBondContact O-NE2 2.97Å
44G87.2Confident88.8Confident16 Ų1637.6 Ų37.617%0.16520%0.2CC..  trans72.72.9-171.200000114.1Y39 S40Y39-G44 WeakPolarHBondContact CD1-O 3.03Å; S40-G44 VanDerWaalsContact O-CA 3.23Å; S40-G44 WeakPolarHBondContact O-CA 3.46Å; S40-G44 PolarHBondContact O-N 2.83Å
45E87.8Confident88.7Confident115 Ų11538.3 Ų38.354%0.53720%0.201SC..  trans-81.7157.8179.9-62.7175.5148.600111.6Y39 S40 T43 C47Y39-E45 CarbonylContact C-O 3.57Å; Y39-E45 VanDerWaalsContact CA-O 3.3Å; Y39-E45 WeakPolarHBondContact CA-O 3.44Å; S40-E45 PolarHBondContact N-O 2.94Å; T43-E45 PolarHBondContact O-N 2.87Å; T43-E45 WeakPolarHBondContact OG1-CB 3.37Å; T43-E45 PolarHBondContact OG1-N 3.03Å; T43-E45 PolarHBondContact OG1-OE2 2.77Å; E45-C47 PolarHBondContact O-N 3.07Å
46I87.7Confident88.7Confident67 Ų6740 Ų4034%0.34421%0.207SC..EExtended strand (participates in β ladder)trans-75.6122.3176.4-61171.3000109.1V37 L38 Y39 F688V37-I46 HydrophobicContact CG1-CB 4.5Å; V37-I46 HydrophobicContact CG1-CD1 4.24Å; V37-I46 HydrophobicContact CG1-CG1 4.02Å; V37-I46 HydrophobicContact CG1-CG2 3.78Å; L38-I46 CarbonylContact O-C 3.54Å; Y39-I46 HydrophobicContact CD1-CG1 3.9Å; Y39-I46 HydrophobicContact CE1-CD1 4.22Å; Y39-I46 HydrophobicContact CE1-CG1 3.45Å; Y39-I46 VanDerWaalsContact CE1-CG1 3.45Å; I46-F688 HydrophobicContact CG2-CD2 3.97Å; I46-F688 HydrophobicContact CG2-CE2 3.77Å
47C89.6Confident88.7Confident9 Ų940.1 Ų40.16%0.06121%0.208CC..EExtended strand (participates in β ladder)trans-99-19.1176.6-59.80000113.1L27 L38 S40 E45 M687 F688L27-C47 HydrophobicContact CD2-CB 4Å; L38-C47 PolarHBondContact O-N 2.81Å; S40-C47 VanDerWaalsContact CB-SG 3.54Å; S40-C47 PolarHBondContact N-SG 2.99Å; S40-C47 VanDerWaalsContact N-SG 3.42Å; E45-C47 PolarHBondContact O-N 3.07Å; C47-M687 HydrophobicContact CB-CE 4.45Å; C47-M687 CarbonylContact O-C 3.59Å; C47-M687 WeakPolarHBondContact O-CA 3.25Å; C47-F688 PolarHBondContact O-N 3.18Å
48G87.2Confident88.7Confident0 Ų040.8 Ų40.80%021%0.212CC..EExtended strand (participates in β ladder)trans177.3171.9177.800000114.5L38 V686L38-G48 PolarHBondContact N-O 3.02Å; L38-G48 PolarHBondContact O-N 3.28Å; G48-V686 CarbonylContact C-O 3.48Å; G48-V686 WeakPolarHBondContact CA-O 3.47Å
49E89.4Confident88.7Confident36 Ų3642 Ų4217%0.16822%0.218CC..EExtended strand (participates in β ladder)trans-137.8136-179.5-61.8-175.6168.100110.8V37 R51 A685 V686 F688V37-E49 HydrophobicContact CG2-CG 4.35Å; E49-R51 IonicContact OE2-CZ 3.81Å; E49-R51 IonicContact OE2-NE 2.73Å; E49-R51 PolarHBondContact OE2-NE 2.88Å; E49-R51 IonicContact OE2-NH2 2.88Å; E49-R51 PolarHBondContact OE2-NH2 2.86Å; E49-A685 WeakPolarHBondContact O-CA 3.32Å; E49-V686 PolarHBondContact N-O 2.84Å; E49-V686 PolarHBondContact O-N 3.3Å; E49-F688 HydrophobicContact CG-CE2 4.23Å
50L90.6Very high88.7Confident0 Ų041.9 Ų41.90%022%0.219CC..EExtended strand (participates in β ladder)trans-115.5110.8176.1-48.4172.8000108.9T35 A36 L38 L72 W84 A685T35-L50 CarbonylContact C-O 3.59Å; T35-L50 VanDerWaalsContact CA-O 3.32Å; T35-L50 WeakPolarHBondContact CA-O 3.46Å; A36-L50 HydrophobicContact CB-CB 4.2Å; A36-L50 HydrophobicContact CB-CD1 4.41Å; A36-L50 PolarHBondContact N-O 3.16Å; A36-L50 PolarHBondContact O-N 2.88Å; L38-L50 HydrophobicContact CD2-CD1 4.43Å; L50-L72 HydrophobicContact CD1-CD2 3.58Å; L50-W84 HydrophobicContact CB-CD2 4.05Å; L50-W84 HydrophobicContact CB-CE3 4.2Å; L50-W84 HydrophobicContact CB-CH2 4.31Å; L50-W84 HydrophobicContact CB-CZ2 4.14Å; L50-W84 HydrophobicContact CB-CZ3 4.34Å; L50-W84 HydrophobicContact CD1-CB 3.98Å; L50-W84 HydrophobicContact CD1-CD2 4.15Å; L50-W84 HydrophobicContact CD1-CG 3.84Å; L50-W84 HydrophobicContact CD2-CD2 4.35Å; L50-W84 HydrophobicContact CD2-CE3 4.06Å; L50-W84 HydrophobicContact CG-CD2 4.42Å; L50-A685 HydrophobicContact CD2-CB 3.48Å; L50-A685 VanDerWaalsContact CD2-CB 3.48Å
51R88.9Confident88.7Confident113 Ų11342.6 Ų42.643%0.42622%0.22SC..EExtended strand (participates in β ladder)trans-99.6136.8-165.6-53.6-171.5165.6-158.7-1.8113.1T35 E49 R82 W84 D684T35-R51 HydrophobicContact CG2-CB 4.21Å; T35-R51 HydrophobicContact CG2-CG 3.76Å; E49-R51 IonicContact OE2-CZ 3.81Å; E49-R51 IonicContact OE2-NE 2.73Å; E49-R51 PolarHBondContact OE2-NE 2.88Å; E49-R51 IonicContact OE2-NH2 2.88Å; E49-R51 PolarHBondContact OE2-NH2 2.86Å; R51-R82 PolarHBondContact O-NH1 2.89Å; R51-W84 WeakPolarHBondContact O-CH2 3.38Å; R51-D684 WeakPolarHBondContact CB-O 3.48Å; R51-D684 PolarHBondContact N-O 2.9Å; R51-D684 VanDerWaalsContact N-O 3.13Å
52H87.4Confident88.6Confident3 Ų343.6 Ų43.61%0.01422%0.222CC..  trans-105.220.4175.8-79.3-110.2000113.9S34 T54 E55 V57 S74 T76 R82 W84S34-H52 WeakPolarHBondContact O-CB 3.35Å; S34-H52 PolarHBondContact O-N 2.93Å; H52-T54 PolarHBondContact O-N 3.02Å; H52-E55 PolarHBondContact O-N 3.45Å; H52-V57 HydrophobicContact CB-CG2 3.98Å; H52-V57 WeakPolarHBondContact CD2-CG2 3.47Å; H52-S74 PolarHBondContact CE1-OG 2.93Å; H52-S74 PolarHBondContact NE2-OG 3.06Å; H52-T76 HydrophobicContact CB-CG2 3.97Å; H52-T76 WeakPolarHBondContact ND1-CG2 3.37Å; H52-R82 WeakPolarHBondContact CE1-CD 3.46Å; H52-R82 PolarHBondContact ND1-NE 2.92Å; H52-W84 AromaticContact CD2-CZ2 3.88Å; H52-W84 AromaticContact NE2-CE2 4Å; H52-W84 AromaticContact NE2-CZ2 3.67Å; H52-W84 AromaticContact NE2-NE1 3.69Å
53G81Confident88.4Confident13 Ų1337.3 Ų37.313%0.13419%0.193CC..THydrogen-bonded Turntrans67.4-115-174.400000110.9S34S34-G53 WeakPolarHBondContact CB-O 3.31Å; S34-G53 PolarHBondContact OG-O 2.82Å
54T81.5Confident87.7Confident112 Ų11238.2 Ų38.269%0.68719%0.191SC*.THydrogen-bonded Turntrans-98.8-13.5-176.157.30000114.2H52 Y681H52-T54 PolarHBondContact O-N 3.02Å; T54-Y681 HydrophobicContact CG2-CD1 4.12Å; T54-Y681 HydrophobicContact CG2-CE1 4.12Å; T54-Y681 HydrophobicContact CG2-CG 4.43Å
55E86.4Confident86.8Confident42 Ų4240.5 Ų40.520%0.19622%0.215CC..SBendtrans-83135.6-175-62.6-171.9167.800112.1S34 H52 V57 T76 A78 N80 K96S34-E55 WeakPolarHBondContact CA-O 3.4Å; S34-E55 WeakPolarHBondContact CB-O 3.29Å; H52-E55 PolarHBondContact O-N 3.45Å; E55-V57 PolarHBondContact O-N 2.88Å; E55-T76 HydrophobicContact CB-CG2 3.84Å; E55-T76 WeakPolarHBondContact OE2-CB 3.44Å; E55-T76 PolarHBondContact OE2-OG1 3.19Å; E55-A78 HydrophobicContact CG-CB 4.21Å; E55-A78 WeakPolarHBondContact OE1-CB 3.31Å; E55-N80 PolarHBondContact OE1-ND2 3.11Å; E55-N80 WeakPolarHBondContact OE2-CB 3.34Å; E55-N80 PolarHBondContact OE2-ND2 3.33Å; E55-K96 IonicContact OE1-NZ 3.79Å; E55-K96 PolarHBondContact OE1-NZ 2.91Å; E55-K96 VanDerWaalsContact OE1-NZ 3.13Å
56E88.5Confident85.7Confident56 Ų5637.5 Ų37.526%0.26220%0.198SC..PPolyproline II helixtrans-72.6122.6-179.7-174.5178.8-171.800111R16 R33 T58 T76 N77R16-E56 IonicContact CZ-OE1 3.51Å; R16-E56 IonicContact NE-OE1 3.62Å; R16-E56 IonicContact NH1-OE1 3.13Å; R16-E56 PolarHBondContact NH1-OE1 3.04Å; R16-E56 IonicContact NH1-OE2 2.79Å; R33-E56 CarbonylContact O-C 3.53Å; R33-E56 WeakPolarHBondContact O-CA 3.42Å; R33-E56 WeakPolarHBondContact O-CG 3.47Å; E56-T58 PolarHBondContact O-N 3.37Å; E56-T76 CarbonylContact O-C 3.57Å; E56-T76 WeakPolarHBondContact O-CA 3.48Å; E56-T76 VanDerWaalsContact O-CB 3.29Å; E56-T76 WeakPolarHBondContact O-CB 3.34Å; E56-N77 PolarHBondContact O-N 2.91Å
57V91.8Very high84.1Confident3 Ų340.3 Ų40.32%0.01821%0.21CC..EExtended strand (participates in β ladder)trans-71.1122.3170-176.40000108.4C31 R33 H52 E55 L60C31-V57 HydrophobicContact CB-CG1 4.42Å; C31-V57 WeakPolarHBondContact CB-O 3.24Å; R33-V57 PolarHBondContact O-N 3.07Å; H52-V57 HydrophobicContact CB-CG2 3.98Å; H52-V57 WeakPolarHBondContact CD2-CG2 3.47Å; E55-V57 PolarHBondContact O-N 2.88Å; V57-L60 HydrophobicContact CG1-CD2 4.3Å
58T91.1Very high82.3Confident19 Ų1946.3 Ų46.312%0.11725%0.246CC..EExtended strand (participates in β ladder)trans-109.7-32.4-175.848.60000112.1S17 E56 A75 N77S17-T58 WeakPolarHBondContact CB-O 3.42Å; S17-T58 PolarHBondContact OG-O 2.94Å; E56-T58 PolarHBondContact O-N 3.37Å; T58-A75 PolarHBondContact N-O 3.4Å; T58-A75 PolarHBondContact OG1-O 3Å; T58-N77 HydrophobicContact CG2-CB 3.72Å
59F92.7Very high81Confident25 Ų2547.7 Ų47.711%0.1126%0.26CS..EExtended strand (participates in β ladder)trans-138.7146-173.6-57.5-60.7000112.1S74 A75 P101 V102 F104 L151F59-S74 CarbonylContact O-C 3.53Å; F59-S74 VanDerWaalsContact O-CA 3.26Å; F59-S74 WeakPolarHBondContact O-CA 3.21Å; F59-A75 HydrophobicContact CB-CB 4.34Å; F59-A75 PolarHBondContact N-O 3.27Å; F59-A75 PolarHBondContact O-N 3.44Å; F59-P101 HydrophobicContact CD2-CB 4.4Å; F59-P101 HydrophobicContact CD2-CG 4.5Å; F59-P101 HydrophobicContact CE2-CB 4.48Å; F59-P101 WeakPolarHBondContact CE2-O 3.5Å; F59-V102 WeakPolarHBondContact CE1-O 3.48Å; F59-V102 VanDerWaalsContact CE2-C 3.49Å; F59-V102 WeakPolarHBondContact CE2-O 3.47Å; F59-V102 VanDerWaalsContact CZ-C 3.42Å; F59-V102 WeakPolarHBondContact CZ-O 3.37Å; F59-F104 HydrophobicContact CB-CD1 3.9Å; F59-F104 HydrophobicContact CB-CE1 3.49Å; F59-F104 VanDerWaalsContact CB-CE1 3.49Å; F59-F104 HydrophobicContact CG-CD1 4.48Å; F59-F104 HydrophobicContact CG-CE1 4.5Å; F59-L151 HydrophobicContact CD1-CD1 4.34Å; F59-L151 HydrophobicContact CE1-CD1 3.35Å; F59-L151 HydrophobicContact CE1-CD2 4.24Å; F59-L151 HydrophobicContact CE1-CG 4.35Å; F59-L151 HydrophobicContact CZ-CD1 3.9Å
60L93.6Very high80Confident22 Ų2246.1 Ų46.112%0.11525%0.253CS..EExtended strand (participates in β ladder)trans-129.1143.3174.8-65.9168.9000109.5C20 A29 C31 A36 V57 L72 I73C20-L60 HydrophobicContact CB-CB 3.99Å; A29-L60 HydrophobicContact CB-CD1 3.85Å; C31-L60 VanDerWaalsContact SG-CG 3.56Å; A36-L60 HydrophobicContact CB-CD1 4.24Å; A36-L60 HydrophobicContact CB-CD2 3.72Å; V57-L60 HydrophobicContact CG1-CD2 4.3Å; L60-L72 HydrophobicContact CB-CD1 4.24Å; L60-L72 HydrophobicContact CD2-CD1 4.17Å; L60-L72 HydrophobicContact CD2-CD2 4.28Å; L60-L72 HydrophobicContact CD2-CG 4.39Å; L60-I73 CarbonylContact C-O 3.57Å; L60-I73 WeakPolarHBondContact CA-O 3.41Å
61H91.4Very high79.7Confident28 Ų2846.5 Ų46.513%0.1326%0.256CS..EExtended strand (participates in β ladder)trans-146.2124.1175.9-170.8-74.3000110.5I73 F104 H105 I106H61-I73 PolarHBondContact N-O 2.85Å; H61-I73 PolarHBondContact O-N 3.06Å; H61-F104 HydrophobicContact CB-CD2 4.25Å; H61-F104 HydrophobicContact CB-CE2 3.35Å; H61-F104 HydrophobicContact CB-CZ 3.61Å; H61-H105 AromaticContact NE2-CD2 3.62Å; H61-H105 AromaticContact NE2-CE1 3.45Å; H61-H105 PolarHBondContact NE2-CE1 3.07Å; H61-H105 AromaticContact NE2-CG 3.52Å; H61-H105 AromaticContact NE2-ND1 3.43Å; H61-H105 PolarHBondContact NE2-ND1 3.14Å; H61-H105 AromaticContact NE2-NE2 3.6Å; H61-I106 PolarHBondContact CE1-N 2.67Å; H61-I106 PolarHBondContact NE2-N 2.95Å
62Y88.9Confident79.9Confident31 Ų3141.1 Ų41.112%0.12224%0.235CC..EExtended strand (participates in β ladder)trans-79.3135.5174.5-179.3-118.5000111C20 L22 K64 N71C20-Y62 VanDerWaalsContact SG-CB 3.56Å; C20-Y62 PolarHBondContact SG-N 3.35Å; L22-Y62 HydrophobicContact CD2-CD2 3.45Å; L22-Y62 VanDerWaalsContact CD2-CD2 3.45Å; L22-Y62 HydrophobicContact CD2-CE2 4.28Å; L22-Y62 HydrophobicContact CD2-CG 4.04Å; Y62-K64 HydrophobicContact CD1-CG 3.9Å; Y62-K64 HydrophobicContact CE1-CB 4.49Å; Y62-K64 HydrophobicContact CE1-CG 3.78Å; Y62-N71 HydrophobicContact CD2-CB 4.48Å; Y62-N71 WeakPolarHBondContact CD2-O 3.43Å; Y62-N71 HydrophobicContact CE2-CB 3.9Å
63V85.3Confident80.1Confident3 Ų341 Ų412%0.01824%0.235CC..  trans-105.897.2-179.2-177.10000109.1N71 I73 I106 T109V63-N71 PolarHBondContact N-O 3.2Å; V63-I73 HydrophobicContact CG2-CD1 3.94Å; V63-I73 HydrophobicContact CG2-CG1 3.83Å; V63-I106 HydrophobicContact CG2-CG1 4.44Å; V63-I106 HydrophobicContact CG2-CG2 4.35Å; V63-T109 HydrophobicContact CG1-CG2 3.28Å
64K74.4Confident80.8Confident90 Ų9040.4 Ų40.439%0.39123%0.228SC..THydrogen-bonded Turntrans-60.2143.2178.2-70-174.8-178.8176.80112Y62 R66 E240 D285Y62-K64 HydrophobicContact CD1-CG 3.9Å; Y62-K64 HydrophobicContact CE1-CB 4.49Å; Y62-K64 HydrophobicContact CE1-CG 3.78Å; K64-R66 VanDerWaalsContact C-N 3.33Å; K64-R66 PolarHBondContact O-N 3.12Å; K64-E240 IonicContact NZ-OE2 3.8Å; K64-D285 WeakPolarHBondContact CE-OD2 3.42Å; K64-D285 VanDerWaalsContact NZ-CG 3.31Å; K64-D285 IonicContact NZ-OD2 3.94Å; K64-D285 PolarHBondContact NZ-OD2 2.77Å
65G67.5Low81.4Confident64 Ų6435 Ų3566%0.6620%0.196SC*.THydrogen-bonded Turntrans80.11171.600000116.2
66R64.1Low81.8Confident52 Ų5233 Ų3320%0.19619%0.186CC..  trans-98.3100.7163.8-88.2-165.6177.3-161.93.4109.7K64 G69 G70 T109K64-R66 VanDerWaalsContact C-N 3.33Å; K64-R66 PolarHBondContact O-N 3.12Å; R66-G69 PolarHBondContact NH1-O 2.9Å; R66-G70 VanDerWaalsContact CB-O 3.31Å; R66-G70 WeakPolarHBondContact CB-O 3.28Å; R66-G70 WeakPolarHBondContact CD-O 3.35Å; R66-T109 HydrophobicContact CG-CG2 4.43Å; R66-T109 PolarHBondContact NE-O 3.24Å; R66-T109 PolarHBondContact NH2-O 3.29Å
67H54.1Low81.9Confident126 Ų12633.1 Ų33.158%0.58319%0.188SC*.SBendtrans-92.1-10.4167.3-64.6-64.5000112.8
68V53.5Low81.8Confident134 Ų13434.9 Ų34.981%0.81220%0.203SC*.SBendtrans-131.2121.1-179-173.30000108
69G58.3Low81.8Confident30 Ų3034 Ų3431%0.30920%0.198SC..SBendtrans90.936.2176.200000116.2R66 L83R66-G69 PolarHBondContact NH1-O 2.9Å; G69-L83 WeakPolarHBondContact O-CD2 3.29Å
70G68.9Low81.9Confident2 Ų234 Ų342%0.02120%0.199CC..  trans93.2136.3172.300000114.9R66 W84R66-G70 VanDerWaalsContact CB-O 3.31Å; R66-G70 WeakPolarHBondContact CB-O 3.28Å; R66-G70 WeakPolarHBondContact CD-O 3.35Å; G70-W84 CarbonylContact C-O 3.55Å; G70-W84 WeakPolarHBondContact CA-O 3.36Å
71N85Confident81.9Confident9 Ų932.9 Ų32.95%0.04819%0.193CC..  trans-132.1-9.3-171.164.1-17.1000113.9Y62 V63 W84 T86Y62-N71 HydrophobicContact CD2-CB 4.48Å; Y62-N71 WeakPolarHBondContact CD2-O 3.43Å; Y62-N71 HydrophobicContact CE2-CB 3.9Å; V63-N71 PolarHBondContact N-O 3.2Å; N71-W84 PolarHBondContact N-O 3.4Å; N71-W84 PolarHBondContact OD1-O 3.17Å; N71-T86 PolarHBondContact ND2-OG1 2.77Å; N71-T86 WeakPolarHBondContact OD1-CG2 3.41Å; N71-T86 PolarHBondContact OD1-N 2.96Å; N71-T86 PolarHBondContact OD1-OG1 2.86Å
72L91.8Very high82Confident0 Ų031.8 Ų31.80%019%0.188CC..EExtended strand (participates in β ladder)trans-124.5129.1176.5177.662.4000110.6L22 A29 L38 L50 L60 W84 T86L22-L72 HydrophobicContact CD1-CD2 4.18Å; L22-L72 HydrophobicContact CD2-CB 4.29Å; L22-L72 HydrophobicContact CD2-CD1 3.76Å; L22-L72 HydrophobicContact CD2-CD2 4.46Å; L22-L72 HydrophobicContact CD2-CG 4.38Å; A29-L72 HydrophobicContact CB-CD2 4.4Å; L38-L72 HydrophobicContact CD2-CD2 4.39Å; L50-L72 HydrophobicContact CD1-CD2 3.58Å; L60-L72 HydrophobicContact CB-CD1 4.24Å; L60-L72 HydrophobicContact CD2-CD1 4.17Å; L60-L72 HydrophobicContact CD2-CD2 4.28Å; L60-L72 HydrophobicContact CD2-CG 4.39Å; L72-W84 HydrophobicContact CB-CB 4.43Å; L72-W84 PolarHBondContact N-O 2.98Å; L72-W84 VanDerWaalsContact N-O 3.12Å; L72-W84 PolarHBondContact O-N 3.04Å; L72-T86 HydrophobicContact CB-CG2 3.74Å; L72-T86 HydrophobicContact CD2-CG2 3.98Å
73I93.3Very high82.1Confident0 Ų030.4 Ų30.40%018%0.182CC..EExtended strand (participates in β ladder)trans-105.5133169.9-60.8-171.4000109.4L60 H61 V63 I81 R82 L83 F104 I106 L112L60-I73 CarbonylContact C-O 3.57Å; L60-I73 WeakPolarHBondContact CA-O 3.41Å; H61-I73 PolarHBondContact N-O 2.85Å; H61-I73 PolarHBondContact O-N 3.06Å; V63-I73 HydrophobicContact CG2-CD1 3.94Å; V63-I73 HydrophobicContact CG2-CG1 3.83Å; I73-I81 HydrophobicContact CG2-CG2 3.48Å; I73-I81 VanDerWaalsContact CG2-CG2 3.48Å; I73-R82 CarbonylContact C-O 3.44Å; I73-R82 VanDerWaalsContact CA-O 3.29Å; I73-R82 WeakPolarHBondContact CA-O 3.23Å; I73-L83 HydrophobicContact CD1-CD1 4.28Å; I73-L83 HydrophobicContact CG1-CD1 3.68Å; I73-F104 HydrophobicContact CB-CE2 4.11Å; I73-F104 HydrophobicContact CB-CZ 4.15Å; I73-F104 HydrophobicContact CG2-CE2 3.75Å; I73-F104 HydrophobicContact CG2-CZ 3.66Å; I73-I106 HydrophobicContact CD1-CD1 3.8Å; I73-I106 HydrophobicContact CD1-CG1 3.76Å; I73-L112 HydrophobicContact CD1-CD2 3.62Å
74S94.9Very high82.4Confident0 Ų030.2 Ų30.20%018%0.182CC..EExtended strand (participates in β ladder)trans-120143173.2600000110.5H52 F59 I81 R82 W84H52-S74 PolarHBondContact CE1-OG 2.93Å; H52-S74 PolarHBondContact NE2-OG 3.06Å; F59-S74 CarbonylContact O-C 3.53Å; F59-S74 VanDerWaalsContact O-CA 3.26Å; F59-S74 WeakPolarHBondContact O-CA 3.21Å; S74-I81 CarbonylContact O-C 3.54Å; S74-I81 WeakPolarHBondContact O-CA 3.42Å; S74-R82 PolarHBondContact N-O 3.3Å; S74-R82 PolarHBondContact O-N 3.09Å; S74-W84 PolarHBondContact OG-NE1 3.11Å
75A94.9Very high83.1Confident0 Ų026.6 Ų26.60%017%0.167CC..EExtended strand (participates in β ladder)trans-125.3141.1174.200000111.8T58 F59 N80 I81 P101 F104T58-A75 PolarHBondContact N-O 3.4Å; T58-A75 PolarHBondContact OG1-O 3Å; F59-A75 HydrophobicContact CB-CB 4.34Å; F59-A75 PolarHBondContact N-O 3.27Å; F59-A75 PolarHBondContact O-N 3.44Å; A75-N80 CarbonylContact C-O 3.53Å; A75-N80 VanDerWaalsContact CA-O 3.28Å; A75-N80 WeakPolarHBondContact CA-O 3.15Å; A75-I81 HydrophobicContact CB-CG1 4.2Å; A75-P101 HydrophobicContact CB-CG 4.15Å; A75-F104 HydrophobicContact CB-CD1 4.12Å; A75-F104 HydrophobicContact CB-CE1 3.64Å
76T94.5Very high83.8Confident0 Ų023.6 Ų23.60%014%0.135CC..EExtended strand (participates in β ladder)trans-96.1161.6176.970.90000112.5H52 E55 E56 A78 G79 N80 P101H52-T76 HydrophobicContact CB-CG2 3.97Å; H52-T76 WeakPolarHBondContact ND1-CG2 3.37Å; E55-T76 HydrophobicContact CB-CG2 3.84Å; E55-T76 WeakPolarHBondContact OE2-CB 3.44Å; E55-T76 PolarHBondContact OE2-OG1 3.19Å; E56-T76 CarbonylContact O-C 3.57Å; E56-T76 WeakPolarHBondContact O-CA 3.48Å; E56-T76 VanDerWaalsContact O-CB 3.29Å; E56-T76 WeakPolarHBondContact O-CB 3.34Å; T76-A78 PolarHBondContact O-N 2.85Å; T76-A78 PolarHBondContact OG1-N 3.31Å; T76-G79 PolarHBondContact O-N 2.83Å; T76-G79 PolarHBondContact OG1-N 2.8Å; T76-N80 HydrophobicContact CG2-CB 4.19Å; T76-N80 PolarHBondContact N-O 3.46Å; T76-N80 WeakPolarHBondContact OG1-CB 3.38Å; T76-N80 PolarHBondContact OG1-N 2.76Å; T76-P101 WeakPolarHBondContact O-CD 3.41Å; T76-P101 WeakPolarHBondContact O-CG 3.41Å
77N89.4Confident84.6Confident57 Ų5727.3 Ų27.331%0.30515%0.153SC..THydrogen-bonded Turntrans-59.2-25.1172.764.3-2.4000113.1E56 T58 G79 K100E56-N77 PolarHBondContact O-N 2.91Å; T58-N77 HydrophobicContact CG2-CB 3.72Å; N77-G79 VanDerWaalsContact C-N 3.31Å; N77-K100 WeakPolarHBondContact O-CB 3.48Å; N77-K100 WeakPolarHBondContact O-CD 3.39Å; N77-K100 VanDerWaalsContact O-CG 3.24Å; N77-K100 WeakPolarHBondContact O-CG 3.37Å
78A90.6Very high85.7Confident40 Ų4027.3 Ų27.333%0.33115%0.153SC..THydrogen-bonded Turntrans-88.24.4177.100000113.1E55 T76 K96E55-A78 HydrophobicContact CG-CB 4.21Å; E55-A78 WeakPolarHBondContact OE1-CB 3.31Å; T76-A78 PolarHBondContact O-N 2.85Å; T76-A78 PolarHBondContact OG1-N 3.31Å; A78-K96 WeakPolarHBondContact O-CE 3.4Å; A78-K96 PolarHBondContact O-NZ 2.82Å
79G91.8Very high86.9Confident0 Ų021.5 Ų21.50%012%0.119CC..SBendtrans81.615.417700000115.6T76 N77 L97T76-G79 PolarHBondContact O-N 2.83Å; T76-G79 PolarHBondContact OG1-N 2.8Å; N77-G79 VanDerWaalsContact C-N 3.31Å; G79-L97 WeakPolarHBondContact O-CB 3.2Å; G79-L97 PolarHBondContact O-N 2.79Å
80N93.5Very high88.1Confident25 Ų2524.4 Ų24.413%0.13413%0.127CC..EExtended strand (participates in β ladder)trans-77.3126.8166.1-83.2-47.2000110.1E55 A75 T76 W95 K96E55-N80 PolarHBondContact OE1-ND2 3.11Å; E55-N80 WeakPolarHBondContact OE2-CB 3.34Å; E55-N80 PolarHBondContact OE2-ND2 3.33Å; A75-N80 CarbonylContact C-O 3.53Å; A75-N80 VanDerWaalsContact CA-O 3.28Å; A75-N80 WeakPolarHBondContact CA-O 3.15Å; T76-N80 HydrophobicContact CG2-CB 4.19Å; T76-N80 PolarHBondContact N-O 3.46Å; T76-N80 WeakPolarHBondContact OG1-CB 3.38Å; T76-N80 PolarHBondContact OG1-N 2.76Å; N80-W95 CarbonylContact C-O 3.46Å; N80-W95 WeakPolarHBondContact CA-O 3.03Å; N80-K96 PolarHBondContact ND2-NZ 2.85Å; N80-K96 WeakPolarHBondContact OD1-CD 3.43Å
81I94.4Very high89Confident0 Ų027.1 Ų27.10%014%0.141CC..EExtended strand (participates in β ladder)trans-110131.4173.8-60.6177.2000107.6I73 S74 A75 T94 W95 L97 F116 L132I73-I81 HydrophobicContact CG2-CG2 3.48Å; I73-I81 VanDerWaalsContact CG2-CG2 3.48Å; S74-I81 CarbonylContact O-C 3.54Å; S74-I81 WeakPolarHBondContact O-CA 3.42Å; A75-I81 HydrophobicContact CB-CG1 4.2Å; I81-T94 CarbonylContact O-C 3.5Å; I81-T94 VanDerWaalsContact O-CA 3.3Å; I81-T94 WeakPolarHBondContact O-CA 3.3Å; I81-T94 PolarHBondContact O-OG1 2.88Å; I81-W95 HydrophobicContact CB-CB 4.34Å; I81-W95 HydrophobicContact CB-CE3 4.24Å; I81-W95 HydrophobicContact CG2-CE3 3.9Å; I81-W95 HydrophobicContact CG2-CZ3 4.4Å; I81-W95 PolarHBondContact N-O 3.29Å; I81-W95 PolarHBondContact O-N 2.82Å; I81-L97 HydrophobicContact CD1-CD1 3.46Å; I81-L97 VanDerWaalsContact CD1-CD1 3.46Å; I81-L97 HydrophobicContact CD1-CD2 4.03Å; I81-L97 HydrophobicContact CD1-CG 3.64Å; I81-L97 HydrophobicContact CG1-CD1 4.19Å; I81-L97 HydrophobicContact CG1-CG 4.21Å; I81-F116 HydrophobicContact CD1-CD1 4.04Å; I81-F116 HydrophobicContact CD1-CE1 3.34Å; I81-F116 HydrophobicContact CD1-CZ 3.88Å; I81-F116 HydrophobicContact CG1-CE1 4.5Å; I81-L132 HydrophobicContact CD1-CD2 4.47Å; I81-L132 HydrophobicContact CG2-CD1 4.31Å
82R92.6Very high89.2Confident5 Ų529.4 Ų29.42%0.01916%0.155CC..EExtended strand (participates in β ladder)trans-125.7140.3176.4-71-176.1-164-173.60.7111.1R51 H52 I73 S74 W84 L91 D93 T94 E683R51-R82 PolarHBondContact O-NH1 2.89Å; H52-R82 WeakPolarHBondContact CE1-CD 3.46Å; H52-R82 PolarHBondContact ND1-NE 2.92Å; I73-R82 CarbonylContact C-O 3.44Å; I73-R82 VanDerWaalsContact CA-O 3.29Å; I73-R82 WeakPolarHBondContact CA-O 3.23Å; S74-R82 PolarHBondContact N-O 3.3Å; S74-R82 PolarHBondContact O-N 3.09Å; R82-W84 HydrophobicContact CB-CZ2 4.05Å; R82-W84 VanDerWaalsContact CD-CZ2 3.45Å; R82-W84 HydrophobicContact CG-CZ2 4.37Å; R82-L91 HydrophobicContact CB-CD1 3.64Å; R82-L91 HydrophobicContact CG-CD1 3.76Å; R82-D93 WeakPolarHBondContact CA-O 3.43Å; R82-T94 VanDerWaalsContact CG-OG1 3.29Å; R82-T94 WeakPolarHBondContact CG-OG1 3.29Å; R82-E683 VanDerWaalsContact CZ-CD 3.48Å; R82-E683 IonicContact CZ-OE1 3.92Å; R82-E683 IonicContact CZ-OE2 3.42Å; R82-E683 IonicContact NH1-OE1 2.68Å; R82-E683 IonicContact NH1-OE2 3.41Å; R82-E683 IonicContact NH2-OE1 3.8Å; R82-E683 PolarHBondContact NH2-OE1 2.89Å; R82-E683 IonicContact NH2-OE2 3.66Å
83L91.9Very high89.1Confident1 Ų131.3 Ų31.31%0.00517%0.165CC..EExtended strand (participates in β ladder)trans-103.2124.7170.2176.466.8000108.9G69 I73 V92 D93 W95 L112G69-L83 WeakPolarHBondContact O-CD2 3.29Å; I73-L83 HydrophobicContact CD1-CD1 4.28Å; I73-L83 HydrophobicContact CG1-CD1 3.68Å; L83-V92 HydrophobicContact CB-CB 4.36Å; L83-V92 HydrophobicContact CD2-CB 4.1Å; L83-V92 HydrophobicContact CD2-CG1 3.95Å; L83-V92 HydrophobicContact CG-CB 4.03Å; L83-V92 HydrophobicContact CG-CG1 4.43Å; L83-V92 HydrophobicContact CG-CG2 4.5Å; L83-V92 WeakPolarHBondContact O-CA 3.43Å; L83-V92 WeakPolarHBondContact O-CB 3.3Å; L83-V92 PolarHBondContact O-N 3.38Å; L83-D93 HydrophobicContact CB-CB 4.44Å; L83-D93 PolarHBondContact N-O 3.26Å; L83-D93 PolarHBondContact O-N 2.86Å; L83-W95 HydrophobicContact CB-CH2 3.94Å; L83-W95 HydrophobicContact CB-CZ3 3.77Å; L83-W95 HydrophobicContact CD2-CH2 4.35Å; L83-L112 HydrophobicContact CD2-CD1 3.96Å
84W90.9Very high89Confident0 Ų034.1 Ų34.10%018%0.182CC..EExtended strand (participates in β ladder)trans-116.1145.2-177.5-55.792.8000111.3L50 R51 H52 G70 N71 L72 S74 R82 L90 L91 A685L50-W84 HydrophobicContact CB-CD2 4.05Å; L50-W84 HydrophobicContact CB-CE3 4.2Å; L50-W84 HydrophobicContact CB-CH2 4.31Å; L50-W84 HydrophobicContact CB-CZ2 4.14Å; L50-W84 HydrophobicContact CB-CZ3 4.34Å; L50-W84 HydrophobicContact CD1-CB 3.98Å; L50-W84 HydrophobicContact CD1-CD2 4.15Å; L50-W84 HydrophobicContact CD1-CG 3.84Å; L50-W84 HydrophobicContact CD2-CD2 4.35Å; L50-W84 HydrophobicContact CD2-CE3 4.06Å; L50-W84 HydrophobicContact CG-CD2 4.42Å; R51-W84 WeakPolarHBondContact O-CH2 3.38Å; H52-W84 AromaticContact CD2-CZ2 3.88Å; H52-W84 AromaticContact NE2-CE2 4Å; H52-W84 AromaticContact NE2-CZ2 3.67Å; H52-W84 AromaticContact NE2-NE1 3.69Å; G70-W84 CarbonylContact C-O 3.55Å; G70-W84 WeakPolarHBondContact CA-O 3.36Å; N71-W84 PolarHBondContact N-O 3.4Å; N71-W84 PolarHBondContact OD1-O 3.17Å; L72-W84 HydrophobicContact CB-CB 4.43Å; L72-W84 PolarHBondContact N-O 2.98Å; L72-W84 VanDerWaalsContact N-O 3.12Å; L72-W84 PolarHBondContact O-N 3.04Å; S74-W84 PolarHBondContact OG-NE1 3.11Å; R82-W84 HydrophobicContact CB-CZ2 4.05Å; R82-W84 VanDerWaalsContact CD-CZ2 3.45Å; R82-W84 HydrophobicContact CG-CZ2 4.37Å; W84-L90 CarbonylContact C-O 3.59Å; W84-L90 WeakPolarHBondContact CA-O 3.33Å; W84-L91 HydrophobicContact CD2-CD1 4.06Å; W84-L91 HydrophobicContact CE3-CB 3.88Å; W84-L91 HydrophobicContact CE3-CD1 4.02Å; W84-L91 HydrophobicContact CH2-CB 4.3Å; W84-L91 HydrophobicContact CH2-CD1 4.08Å; W84-L91 HydrophobicContact CZ2-CD1 4.1Å; W84-L91 HydrophobicContact CZ3-CB 3.64Å; W84-L91 HydrophobicContact CZ3-CD1 4.03Å; W84-L91 HydrophobicContact CZ3-CG 4.33Å; W84-A685 HydrophobicContact CE3-CB 4.02Å; W84-A685 HydrophobicContact CZ3-CB 3.73Å
85N88.6Confident89Confident14 Ų1434.2 Ų34.28%0.07518%0.183CC..EExtended strand (participates in β ladder)trans-95.2106.4162.2-174.4-9000108.7K87 E88 A89 L90 V92N85-K87 VanDerWaalsContact C-N 3.32Å; N85-K87 PolarHBondContact O-N 3.26Å; N85-K87 PolarHBondContact OD1-N 3.4Å; N85-E88 VanDerWaalsContact ND2-CD 3.31Å; N85-E88 PolarHBondContact ND2-OE2 2.9Å; N85-A89 VanDerWaalsContact O-CA 3.32Å; N85-A89 WeakPolarHBondContact O-CA 3.42Å; N85-A89 PolarHBondContact O-N 3.35Å; N85-L90 HydrophobicContact CB-CB 4.43Å; N85-L90 PolarHBondContact N-O 2.97Å; N85-L90 PolarHBondContact O-N 2.84Å; N85-L90 VanDerWaalsContact O-N 3.09Å; N85-V92 HydrophobicContact CB-CG2 4.03Å
86T83.6Confident88.9Confident0 Ų038.9 Ų38.90%020%0.203CC..THydrogen-bonded Turntrans-70.6-27.3-17761.90000113.2L22 E23 L38 N71 L72L22-T86 HydrophobicContact CD1-CG2 3.74Å; E23-T86 PolarHBondContact OE1-OG1 2.89Å; L38-T86 HydrophobicContact CD1-CG2 4.49Å; N71-T86 PolarHBondContact ND2-OG1 2.77Å; N71-T86 WeakPolarHBondContact OD1-CG2 3.41Å; N71-T86 PolarHBondContact OD1-N 2.96Å; N71-T86 PolarHBondContact OD1-OG1 2.86Å; L72-T86 HydrophobicContact CB-CG2 3.74Å; L72-T86 HydrophobicContact CD2-CG2 3.98Å
87K79.6Confident88.8Confident130 Ų13039.1 Ų39.157%0.56520%0.204SC*.THydrogen-bonded Turntrans-70.7-38.4180-70.6-170.4174-169.50112.6E23 N85E23-K87 WeakPolarHBondContact OE1-CG 3.5Å; N85-K87 VanDerWaalsContact C-N 3.32Å; N85-K87 PolarHBondContact O-N 3.26Å; N85-K87 PolarHBondContact OD1-N 3.4Å
88E77.5Confident88.8Confident127 Ų12741.8 Ų41.859%0.59322%0.215SC*.THydrogen-bonded Turntrans-101-5.9-177.6-65.4174.4170.100112.4N85 L90N85-E88 VanDerWaalsContact ND2-CD 3.31Å; N85-E88 PolarHBondContact ND2-OE2 2.9Å; E88-L90 VanDerWaalsContact C-N 3.35Å; E88-L90 HydrophobicContact CB-CB 4.43Å; E88-L90 HydrophobicContact CB-CD1 3.78Å; E88-L90 HydrophobicContact CB-CG 3.92Å
89A78.7Confident88.7Confident12 Ų1242.4 Ų42.410%0.09921%0.209CC..THydrogen-bonded Turntrans55.248.9-172.700000112N85 A685 M687N85-A89 VanDerWaalsContact O-CA 3.32Å; N85-A89 WeakPolarHBondContact O-CA 3.42Å; N85-A89 PolarHBondContact O-N 3.35Å; A89-A685 VanDerWaalsContact C-CB 3.46Å; A89-A685 HydrophobicContact CB-CB 4Å; A89-A685 WeakPolarHBondContact O-CB 3.25Å; A89-M687 HydrophobicContact CB-CB 4.37Å; A89-M687 HydrophobicContact CB-CG 3.33Å; A89-M687 HydrophobicContact CB-SD 4.35Å
90L84.6Confident88.7Confident91 Ų9147.1 Ų47.148%0.47623%0.229SC..EExtended strand (participates in β ladder)trans-120.4136.7-176.4-69.2174.4000111.8W84 N85 E88W84-L90 CarbonylContact C-O 3.59Å; W84-L90 WeakPolarHBondContact CA-O 3.33Å; N85-L90 HydrophobicContact CB-CB 4.43Å; N85-L90 PolarHBondContact N-O 2.97Å; N85-L90 PolarHBondContact O-N 2.84Å; N85-L90 VanDerWaalsContact O-N 3.09Å; E88-L90 VanDerWaalsContact C-N 3.35Å; E88-L90 HydrophobicContact CB-CB 4.43Å; E88-L90 HydrophobicContact CB-CD1 3.78Å; E88-L90 HydrophobicContact CB-CG 3.92Å
91L88.1Confident88.6Confident59 Ų5946 Ų4631%0.30922%0.224SC..EExtended strand (participates in β ladder)trans-73124164.3-178.459.9000108.8R82 W84R82-L91 HydrophobicContact CB-CD1 3.64Å; R82-L91 HydrophobicContact CG-CD1 3.76Å; W84-L91 HydrophobicContact CD2-CD1 4.06Å; W84-L91 HydrophobicContact CE3-CB 3.88Å; W84-L91 HydrophobicContact CE3-CD1 4.02Å; W84-L91 HydrophobicContact CH2-CB 4.3Å; W84-L91 HydrophobicContact CH2-CD1 4.08Å; W84-L91 HydrophobicContact CZ2-CD1 4.1Å; W84-L91 HydrophobicContact CZ3-CB 3.64Å; W84-L91 HydrophobicContact CZ3-CD1 4.03Å; W84-L91 HydrophobicContact CZ3-CG 4.33Å
92V88.2Confident88.5Confident56 Ų5646.5 Ų46.534%0.33923%0.227SC..EExtended strand (participates in β ladder)trans-96.5-50-177-178.20000111.4L83 N85L83-V92 HydrophobicContact CB-CB 4.36Å; L83-V92 HydrophobicContact CD2-CB 4.1Å; L83-V92 HydrophobicContact CD2-CG1 3.95Å; L83-V92 HydrophobicContact CG-CB 4.03Å; L83-V92 HydrophobicContact CG-CG1 4.43Å; L83-V92 HydrophobicContact CG-CG2 4.5Å; L83-V92 WeakPolarHBondContact O-CA 3.43Å; L83-V92 WeakPolarHBondContact O-CB 3.3Å; L83-V92 PolarHBondContact O-N 3.38Å; N85-V92 HydrophobicContact CB-CG2 4.03Å
93D89.2Confident88.4Confident41 Ų4146.3 Ų46.322%0.21923%0.226CC..EExtended strand (participates in β ladder)trans-152.5158.2-177.9-102.8-52.6000110.2R82 L83 W95 G135R82-D93 WeakPolarHBondContact CA-O 3.43Å; L83-D93 HydrophobicContact CB-CB 4.44Å; L83-D93 PolarHBondContact N-O 3.26Å; L83-D93 PolarHBondContact O-N 2.86Å; D93-W95 HydrophobicContact CB-CH2 3.35Å; D93-W95 HydrophobicContact CB-CZ2 3.67Å; D93-W95 HydrophobicContact CB-CZ3 3.86Å; D93-G135 PolarHBondContact OD1-N 3.45Å
94T92.2Very high88.4Confident58 Ų5847.3 Ų47.336%0.35623%0.23SC..EExtended strand (participates in β ladder)trans-135145.2178.3-141.10000110.7I81 R82 G136I81-T94 CarbonylContact O-C 3.5Å; I81-T94 VanDerWaalsContact O-CA 3.3Å; I81-T94 WeakPolarHBondContact O-CA 3.3Å; I81-T94 PolarHBondContact O-OG1 2.88Å; R82-T94 VanDerWaalsContact CG-OG1 3.29Å; R82-T94 WeakPolarHBondContact CG-OG1 3.29Å; T94-G136 WeakPolarHBondContact O-CA 3.15Å
95W94.2Very high88.4Confident3 Ų349.6 Ų49.61%0.01124%0.241CC..EExtended strand (participates in β ladder)trans-137142.2174.2-57-95.3000110N80 I81 L83 D93 L132 N133 G136N80-W95 CarbonylContact C-O 3.46Å; N80-W95 WeakPolarHBondContact CA-O 3.03Å; I81-W95 HydrophobicContact CB-CB 4.34Å; I81-W95 HydrophobicContact CB-CE3 4.24Å; I81-W95 HydrophobicContact CG2-CE3 3.9Å; I81-W95 HydrophobicContact CG2-CZ3 4.4Å; I81-W95 PolarHBondContact N-O 3.29Å; I81-W95 PolarHBondContact O-N 2.82Å; L83-W95 HydrophobicContact CB-CH2 3.94Å; L83-W95 HydrophobicContact CB-CZ3 3.77Å; L83-W95 HydrophobicContact CD2-CH2 4.35Å; D93-W95 HydrophobicContact CB-CH2 3.35Å; D93-W95 HydrophobicContact CB-CZ2 3.67Å; D93-W95 HydrophobicContact CB-CZ3 3.86Å; W95-L132 HydrophobicContact CB-CD2 4.17Å; W95-L132 HydrophobicContact CD2-CB 4.18Å; W95-L132 HydrophobicContact CD2-CD1 4.41Å; W95-L132 HydrophobicContact CD2-CD2 3.98Å; W95-L132 HydrophobicContact CD2-CG 4.42Å; W95-L132 HydrophobicContact CE3-CD1 4.32Å; W95-L132 HydrophobicContact CG-CD2 3.77Å; W95-L132 HydrophobicContact CH2-CB 4.48Å; W95-L132 HydrophobicContact CZ2-CB 3.89Å; W95-L132 HydrophobicContact CZ3-CD1 4.47Å; W95-N133 PolarHBondContact NE1-O 2.9Å; W95-G136 VanDerWaalsContact CD1-C 3.43Å
96K93.9Very high88.4Confident97 Ų9749.4 Ų49.442%0.42224%0.24SC..EExtended strand (participates in β ladder)trans-109110.6173.1-173.873.8176.1179.10110.2E55 A78 N80 F138E55-K96 IonicContact OE1-NZ 3.79Å; E55-K96 PolarHBondContact OE1-NZ 2.91Å; E55-K96 VanDerWaalsContact OE1-NZ 3.13Å; A78-K96 WeakPolarHBondContact O-CE 3.4Å; A78-K96 PolarHBondContact O-NZ 2.82Å; N80-K96 PolarHBondContact ND2-NZ 2.85Å; N80-K96 WeakPolarHBondContact OD1-CD 3.43Å; K96-F138 VanDerWaalsContact O-CE1 3.3Å; K96-F138 WeakPolarHBondContact O-CE1 3.49Å
97L92.4Very high88.6Confident6 Ų651.9 Ų51.93%0.03126%0.255CS..  trans-75.2151.8171.6-61.6-174.4000111.4G79 I81 Y99 F116 L118 I130 F138G79-L97 WeakPolarHBondContact O-CB 3.2Å; G79-L97 PolarHBondContact O-N 2.79Å; I81-L97 HydrophobicContact CD1-CD1 3.46Å; I81-L97 VanDerWaalsContact CD1-CD1 3.46Å; I81-L97 HydrophobicContact CD1-CD2 4.03Å; I81-L97 HydrophobicContact CD1-CG 3.64Å; I81-L97 HydrophobicContact CG1-CD1 4.19Å; I81-L97 HydrophobicContact CG1-CG 4.21Å; L97-Y99 VanDerWaalsContact C-N 3.28Å; L97-Y99 PolarHBondContact O-N 3.34Å; L97-F116 HydrophobicContact CD1-CD1 4.2Å; L97-L118 HydrophobicContact CD1-CD1 4.32Å; L97-L118 HydrophobicContact CD1-CD2 3.67Å; L97-I130 HydrophobicContact CD1-CD1 4.5Å; L97-I130 HydrophobicContact CD2-CD1 3.94Å; L97-F138 HydrophobicContact CD2-CD1 4.32Å; L97-F138 HydrophobicContact CD2-CD2 4.35Å; L97-F138 HydrophobicContact CD2-CE1 4.11Å; L97-F138 HydrophobicContact CD2-CE2 4.13Å; L97-F138 HydrophobicContact CD2-CG 4.45Å; L97-F138 HydrophobicContact CD2-CZ 4Å
98E88Confident88.8Confident112 Ų11247.7 Ų47.752%0.52324%0.242SC..SBendtrans-70.7-23.5176.4-65.6175.2-167.600113.6R140E98-R140 VanDerWaalsContact CD-NH1 3.34Å; E98-R140 VanDerWaalsContact CD-NH2 3.34Å; E98-R140 IonicContact OE1-CZ 2.89Å; E98-R140 IonicContact OE1-NH1 3.49Å; E98-R140 IonicContact OE1-NH2 3.82Å; E98-R140 PolarHBondContact OE1-NH2 3.47Å; E98-R140 IonicContact OE2-CZ 2.81Å; E98-R140 IonicContact OE2-NH1 2.81Å; E98-R140 PolarHBondContact OE2-NH1 2.86Å; E98-R140 IonicContact OE2-NH2 2.69Å; E98-R140 PolarHBondContact OE2-NH2 2.88Å
99Y89Confident88.9Confident54 Ų5443.4 Ų43.421%0.21223%0.225CC..SBendtrans-131.1153.2-169.4-60.7-47.2000110.6L97 L118 E119 R120L97-Y99 VanDerWaalsContact C-N 3.28Å; L97-Y99 PolarHBondContact O-N 3.34Å; Y99-L118 HydrophobicContact CD2-CB 4.47Å; Y99-L118 HydrophobicContact CD2-CD1 4.34Å; Y99-E119 WeakPolarHBondContact CB-O 3.49Å; Y99-R120 HydrophobicContact CD1-CG 4.47Å; Y99-R120 HydrophobicContact CE1-CG 3.97Å; Y99-R120 HydrophobicContact CE2-CG 4.26Å
100K91.3Very high89Confident98 Ų9851.5 Ų51.543%0.42626%0.258SS..EExtended strand (participates in β ladder)trans-65.4125.6177.9168165.4161.8-122.40110.3N77 L118 E119N77-K100 WeakPolarHBondContact O-CB 3.48Å; N77-K100 WeakPolarHBondContact O-CD 3.39Å; N77-K100 VanDerWaalsContact O-CG 3.24Å; N77-K100 WeakPolarHBondContact O-CG 3.37Å; K100-L118 WeakPolarHBondContact O-CA 3.4Å; K100-E119 HydrophobicContact CB-CB 4.37Å; K100-E119 WeakPolarHBondContact CD-OE2 3.4Å; K100-E119 IonicContact NZ-OE2 3.69Å; K100-E119 PolarHBondContact NZ-OE2 2.86Å; K100-E119 PolarHBondContact O-N 2.78Å
101P92.6Very high88.9Confident2 Ų250.7 Ų50.71%0.01326%0.258CS..EExtended strand (participates in β ladder)trans-72.3142173.729.3-32.3000109.9F59 A75 T76 L118F59-P101 HydrophobicContact CD2-CB 4.4Å; F59-P101 HydrophobicContact CD2-CG 4.5Å; F59-P101 HydrophobicContact CE2-CB 4.48Å; F59-P101 WeakPolarHBondContact CE2-O 3.5Å; A75-P101 HydrophobicContact CB-CG 4.15Å; T76-P101 WeakPolarHBondContact O-CD 3.41Å; T76-P101 WeakPolarHBondContact O-CG 3.41Å; P101-L118 HydrophobicContact CB-CD2 4.06Å
102V90.8Very high88.9Confident11 Ų1148.2 Ų48.27%0.06725%0.245CC..EExtended strand (participates in β ladder)trans-108-24.6172.31720000110.9F59 V117 E119 Q149 L151 F154F59-V102 WeakPolarHBondContact CE1-O 3.48Å; F59-V102 VanDerWaalsContact CE2-C 3.49Å; F59-V102 WeakPolarHBondContact CE2-O 3.47Å; F59-V102 VanDerWaalsContact CZ-C 3.42Å; F59-V102 WeakPolarHBondContact CZ-O 3.37Å; V102-V117 HydrophobicContact CB-CB 4.33Å; V102-V117 HydrophobicContact CB-CG1 4.06Å; V102-V117 HydrophobicContact CG1-CG1 4.34Å; V102-V117 PolarHBondContact N-O 2.75Å; V102-E119 HydrophobicContact CG2-CB 3.94Å; V102-Q149 WeakPolarHBondContact CG1-O 3.49Å; V102-L151 WeakPolarHBondContact O-CD1 3.35Å; V102-L151 WeakPolarHBondContact O-CD2 3.38Å; V102-L151 VanDerWaalsContact O-CG 3.27Å; V102-L151 WeakPolarHBondContact O-CG 3.45Å; V102-F154 HydrophobicContact CG1-CE1 4.29Å
103G91.3Very high89Confident1 Ų145.9 Ų45.91%0.0123%0.231CC..EExtended strand (participates in β ladder)trans175.2161.1172.400000109.8V117G103-V117 PolarHBondContact O-N 3.25Å
104F91.9Very high89.1Confident21 Ų2143.9 Ų43.99%0.09222%0.22CC..EExtended strand (participates in β ladder)trans-153.3159.5-179.773-89000112F59 H61 I73 A75 I106 Y115 F116F59-F104 HydrophobicContact CB-CD1 3.9Å; F59-F104 HydrophobicContact CB-CE1 3.49Å; F59-F104 VanDerWaalsContact CB-CE1 3.49Å; F59-F104 HydrophobicContact CG-CD1 4.48Å; F59-F104 HydrophobicContact CG-CE1 4.5Å; H61-F104 HydrophobicContact CB-CD2 4.25Å; H61-F104 HydrophobicContact CB-CE2 3.35Å; H61-F104 HydrophobicContact CB-CZ 3.61Å; I73-F104 HydrophobicContact CB-CE2 4.11Å; I73-F104 HydrophobicContact CB-CZ 4.15Å; I73-F104 HydrophobicContact CG2-CE2 3.75Å; I73-F104 HydrophobicContact CG2-CZ 3.66Å; A75-F104 HydrophobicContact CB-CD1 4.12Å; A75-F104 HydrophobicContact CB-CE1 3.64Å; F104-I106 HydrophobicContact CD2-CD1 3.97Å; F104-I106 HydrophobicContact CD2-CG1 4.15Å; F104-I106 HydrophobicContact CE2-CD1 4.11Å; F104-I106 HydrophobicContact CE2-CG1 4.02Å; F104-Y115 CarbonylContact C-O 3.58Å; F104-Y115 WeakPolarHBondContact CA-O 3.43Å; F104-Y115 WeakPolarHBondContact CB-O 3.05Å; F104-F116 HydrophobicContact CB-CB 4.41Å; F104-F116 HydrophobicContact CB-CD1 3.24Å; F104-F116 HydrophobicContact CB-CD2 4.47Å; F104-F116 HydrophobicContact CB-CE1 3.4Å; F104-F116 HydrophobicContact CB-CG 3.82Å; F104-F116 HydrophobicContact CB-CZ 4.11Å; F104-F116 HydrophobicContact CD1-CD1 4.49Å; F104-F116 HydrophobicContact CD1-CE1 4.18Å; F104-F116 HydrophobicContact CD2-CD1 4.49Å; F104-F116 AromaticContact CD2-CE1 3.75Å; F104-F116 HydrophobicContact CD2-CE1 3.75Å; F104-F116 HydrophobicContact CD2-CZ 4.02Å; F104-F116 AromaticContact CG-CD1 3.88Å; F104-F116 HydrophobicContact CG-CD1 3.88Å; F104-F116 AromaticContact CG-CE1 3.53Å; F104-F116 HydrophobicContact CG-CE1 3.53Å; F104-F116 HydrophobicContact CG-CZ 4.23Å
105H89.6Confident89.2Confident49 Ų4941.9 Ų41.923%0.22721%0.206CC..EExtended strand (participates in β ladder)trans-140.8129.9173.7-165.8-62000110.1H61 G114 Y115 F156 N160H61-H105 AromaticContact NE2-CD2 3.62Å; H61-H105 AromaticContact NE2-CE1 3.45Å; H61-H105 PolarHBondContact NE2-CE1 3.07Å; H61-H105 AromaticContact NE2-CG 3.52Å; H61-H105 AromaticContact NE2-ND1 3.43Å; H61-H105 PolarHBondContact NE2-ND1 3.14Å; H61-H105 AromaticContact NE2-NE2 3.6Å; H105-G114 CarbonylContact O-C 3.57Å; H105-G114 WeakPolarHBondContact O-CA 2.9Å; H105-Y115 PolarHBondContact N-O 3.37Å; H105-Y115 PolarHBondContact O-N 3.45Å; H105-F156 HydrophobicContact CB-CD1 4.45Å; H105-F156 HydrophobicContact CB-CD2 3.39Å; H105-F156 HydrophobicContact CB-CE1 4.37Å; H105-F156 HydrophobicContact CB-CE2 3.3Å; H105-F156 HydrophobicContact CB-CG 4Å; H105-F156 HydrophobicContact CB-CZ 3.83Å; H105-F156 AromaticContact CD2-CD2 3.87Å; H105-F156 AromaticContact CG-CD2 3.79Å; H105-N160 VanDerWaalsContact CE1-CG 3.45Å; H105-N160 PolarHBondContact CE1-ND2 2.84Å; H105-N160 PolarHBondContact CE1-OD1 2.74Å; H105-N160 PolarHBondContact NE2-OD1 2.83Å
106I89.5Confident89.1Confident10 Ų1041.7 Ų41.75%0.05121%0.205CC..EExtended strand (participates in β ladder)trans-90.1131.9177.8-55-60.4000109.2H61 V63 I73 F104 L112 F116H61-I106 PolarHBondContact CE1-N 2.67Å; H61-I106 PolarHBondContact NE2-N 2.95Å; V63-I106 HydrophobicContact CG2-CG1 4.44Å; V63-I106 HydrophobicContact CG2-CG2 4.35Å; I73-I106 HydrophobicContact CD1-CD1 3.8Å; I73-I106 HydrophobicContact CD1-CG1 3.76Å; F104-I106 HydrophobicContact CD2-CD1 3.97Å; F104-I106 HydrophobicContact CD2-CG1 4.15Å; F104-I106 HydrophobicContact CE2-CD1 4.11Å; F104-I106 HydrophobicContact CE2-CG1 4.02Å; I106-L112 HydrophobicContact CD1-CD2 4.46Å; I106-L112 HydrophobicContact CG2-CD2 3.8Å; I106-F116 HydrophobicContact CD1-CE2 4.36Å; I106-F116 HydrophobicContact CD1-CZ 3.97Å
107V86.9Confident89.1Confident52 Ų5237.1 Ų37.132%0.31519%0.186SC..EExtended strand (participates in β ladder)trans-116-23.2-173.6-59.60000113.6V113 Y115 N160V107-V113 HydrophobicContact CG2-CB 4.22Å; V107-V113 HydrophobicContact CG2-CG1 4.2Å; V107-V113 WeakPolarHBondContact CG2-O 3.36Å; V107-V113 PolarHBondContact N-O 3.05Å; V107-Y115 HydrophobicContact CG1-CD2 3.71Å; V107-Y115 HydrophobicContact CG1-CE2 3.89Å; V107-Y115 HydrophobicContact CG2-CD2 4.27Å; V107-Y115 HydrophobicContact CG2-CE2 3.96Å; V107-N160 HydrophobicContact CB-CB 4.22Å; V107-N160 HydrophobicContact CG1-CB 3.4Å
108S83.8Confident89.2Confident41 Ų4137 Ų3729%0.28719%0.185SC..EExtended strand (participates in β ladder)trans-141.4149.4179.31680000110.4P111 L112 V113S108-P111 CarbonylContact C-O 3.44Å; S108-P111 VanDerWaalsContact C-O 3.26Å; S108-P111 WeakPolarHBondContact CB-O 3.26Å; S108-P111 PolarHBondContact OG-O 3.07Å; S108-L112 VanDerWaalsContact O-CA 3.32Å; S108-L112 WeakPolarHBondContact O-CA 3.18Å; S108-V113 PolarHBondContact N-O 3.3Å; S108-V113 PolarHBondContact O-N 3.15Å
109T79.8Confident89.4Confident38 Ų3833.2 Ų33.223%0.23317%0.167CC..EExtended strand (participates in β ladder)trans-110.7-14.4-177.362.60000114.1V63 R66 P111V63-T109 HydrophobicContact CG1-CG2 3.28Å; R66-T109 HydrophobicContact CG-CG2 4.43Å; R66-T109 PolarHBondContact NE-O 3.24Å; R66-T109 PolarHBondContact NH2-O 3.29Å; T109-P111 CarbonylContact C-O 3.49Å; T109-P111 PolarHBondContact N-O 3.04Å
110K81.3Confident89.1Confident181 Ų18137.4 Ų37.479%0.78718%0.183SC*.THydrogen-bonded Turntrans-144.486.3179.4-66.8-174.6-179.21800110.9
111P82.6Confident88.7Confident74 Ų7437.1 Ų37.148%0.48119%0.186SC..THydrogen-bonded Turncis-73.8167.4-1.530.2-33.3000112.6S108 T109 V113 V131S108-P111 CarbonylContact C-O 3.44Å; S108-P111 VanDerWaalsContact C-O 3.26Å; S108-P111 WeakPolarHBondContact CB-O 3.26Å; S108-P111 PolarHBondContact OG-O 3.07Å; T109-P111 CarbonylContact C-O 3.49Å; T109-P111 PolarHBondContact N-O 3.04Å; P111-V113 HydrophobicContact CB-CG2 4.49Å; P111-V113 HydrophobicContact CG-CG2 3.91Å; P111-V113 PolarHBondContact O-N 3.47Å; P111-V113 VanDerWaalsContact O-N 3.15Å; P111-V131 HydrophobicContact CB-CG1 4.05Å; P111-V131 HydrophobicContact CG-CG1 4.22Å
112L88.4Confident88Confident8 Ų842.1 Ų42.14%0.04222%0.218CC..EExtended strand (participates in β ladder)trans-72103.2175.3-114.5153.7000108.8I73 L83 I106 S108 L132I73-L112 HydrophobicContact CD1-CD2 3.62Å; L83-L112 HydrophobicContact CD2-CD1 3.96Å; I106-L112 HydrophobicContact CD1-CD2 4.46Å; I106-L112 HydrophobicContact CG2-CD2 3.8Å; S108-L112 VanDerWaalsContact O-CA 3.32Å; S108-L112 WeakPolarHBondContact O-CA 3.18Å; L112-L132 HydrophobicContact CB-CB 4.2Å; L112-L132 PolarHBondContact O-N 3.19Å
113V90.5Very high87.3Confident6 Ų650.1 Ų50.14%0.03626%0.255CS..EExtended strand (participates in β ladder)trans-120.7132.9-178.7-172.60000108.5V107 S108 P111 R129 I130 V131V107-V113 HydrophobicContact CG2-CB 4.22Å; V107-V113 HydrophobicContact CG2-CG1 4.2Å; V107-V113 WeakPolarHBondContact CG2-O 3.36Å; V107-V113 PolarHBondContact N-O 3.05Å; S108-V113 PolarHBondContact N-O 3.3Å; S108-V113 PolarHBondContact O-N 3.15Å; P111-V113 HydrophobicContact CB-CG2 4.49Å; P111-V113 HydrophobicContact CG-CG2 3.91Å; P111-V113 PolarHBondContact O-N 3.47Å; P111-V113 VanDerWaalsContact O-N 3.15Å; V113-R129 HydrophobicContact CG1-CG 3.99Å; V113-I130 WeakPolarHBondContact CA-O 3.5Å; V113-V131 HydrophobicContact CG1-CG2 4.41Å; V113-V131 HydrophobicContact CG2-CG1 4.29Å; V113-V131 HydrophobicContact CG2-CG2 4.12Å
114G91.5Very high87Confident0 Ų051.9 Ų51.90%027%0.265CS..EExtended strand (participates in β ladder)trans-139.7164.5174.300000112.5H105 I130H105-G114 CarbonylContact O-C 3.57Å; H105-G114 WeakPolarHBondContact O-CA 2.9Å; G114-I130 PolarHBondContact N-O 3.09Å; G114-I130 PolarHBondContact O-N 3.43Å
115Y92.9Very high87Confident15 Ų1550.9 Ų50.96%0.05926%0.261CS..EExtended strand (participates in β ladder)trans-103.7129.8169-69-79.9000109F104 H105 V107 L127 Y128 R129 V143 F156 L176F104-Y115 CarbonylContact C-O 3.58Å; F104-Y115 WeakPolarHBondContact CA-O 3.43Å; F104-Y115 WeakPolarHBondContact CB-O 3.05Å; H105-Y115 PolarHBondContact N-O 3.37Å; H105-Y115 PolarHBondContact O-N 3.45Å; V107-Y115 HydrophobicContact CG1-CD2 3.71Å; V107-Y115 HydrophobicContact CG1-CE2 3.89Å; V107-Y115 HydrophobicContact CG2-CD2 4.27Å; V107-Y115 HydrophobicContact CG2-CE2 3.96Å; Y115-L127 HydrophobicContact CD1-CD2 4.34Å; Y115-L127 HydrophobicContact CD1-CG 4.38Å; Y115-Y128 CarbonylContact C-O 3.24Å; Y115-Y128 VanDerWaalsContact CA-O 3.27Å; Y115-Y128 WeakPolarHBondContact CA-O 3.49Å; Y115-R129 HydrophobicContact CD1-CB 3.98Å; Y115-R129 HydrophobicContact CD1-CG 4.39Å; Y115-R129 HydrophobicContact CE1-CB 3.67Å; Y115-R129 HydrophobicContact CE1-CG 3.85Å; Y115-V143 HydrophobicContact CD1-CG2 4.12Å; Y115-V143 HydrophobicContact CE1-CG2 3.87Å; Y115-F156 VanDerWaalsContact CB-CE1 3.46Å; Y115-F156 VanDerWaalsContact CB-CZ 3.46Å; Y115-F156 AromaticContact CD2-CE1 3.84Å; Y115-F156 HydrophobicContact CD2-CE1 3.84Å; Y115-F156 AromaticContact CG-CE1 3.81Å; Y115-F156 HydrophobicContact CG-CE1 3.81Å; Y115-F156 HydrophobicContact CG-CZ 4.32Å; Y115-L176 HydrophobicContact CD1-CD2 4.29Å; Y115-L176 HydrophobicContact CD2-CD1 4.01Å; Y115-L176 HydrophobicContact CE1-CD1 4.26Å; Y115-L176 HydrophobicContact CE1-CD2 3.75Å; Y115-L176 HydrophobicContact CE1-CG 4.42Å; Y115-L176 HydrophobicContact CE2-CB 4.45Å; Y115-L176 HydrophobicContact CE2-CD1 3.63Å; Y115-L176 HydrophobicContact CE2-CG 4.44Å; Y115-L176 HydrophobicContact CG-CD1 4.48Å
116F93.9Very high87.1Confident0 Ų049 Ų490%025%0.253CS..EExtended strand (participates in β ladder)trans-124.9126.2-174.7-67.9-100.6000109.2I81 L97 F104 I106 L118 L127 Y128 I130 L132I81-F116 HydrophobicContact CD1-CD1 4.04Å; I81-F116 HydrophobicContact CD1-CE1 3.34Å; I81-F116 HydrophobicContact CD1-CZ 3.88Å; I81-F116 HydrophobicContact CG1-CE1 4.5Å; L97-F116 HydrophobicContact CD1-CD1 4.2Å; F104-F116 HydrophobicContact CB-CB 4.41Å; F104-F116 HydrophobicContact CB-CD1 3.24Å; F104-F116 HydrophobicContact CB-CD2 4.47Å; F104-F116 HydrophobicContact CB-CE1 3.4Å; F104-F116 HydrophobicContact CB-CG 3.82Å; F104-F116 HydrophobicContact CB-CZ 4.11Å; F104-F116 HydrophobicContact CD1-CD1 4.49Å; F104-F116 HydrophobicContact CD1-CE1 4.18Å; F104-F116 HydrophobicContact CD2-CD1 4.49Å; F104-F116 AromaticContact CD2-CE1 3.75Å; F104-F116 HydrophobicContact CD2-CE1 3.75Å; F104-F116 HydrophobicContact CD2-CZ 4.02Å; F104-F116 AromaticContact CG-CD1 3.88Å; F104-F116 HydrophobicContact CG-CD1 3.88Å; F104-F116 AromaticContact CG-CE1 3.53Å; F104-F116 HydrophobicContact CG-CE1 3.53Å; F104-F116 HydrophobicContact CG-CZ 4.23Å; I106-F116 HydrophobicContact CD1-CE2 4.36Å; I106-F116 HydrophobicContact CD1-CZ 3.97Å; F116-L118 HydrophobicContact CB-CD2 3.88Å; F116-L118 HydrophobicContact CB-CG 4.1Å; F116-L127 WeakPolarHBondContact O-CA 3.18Å; F116-Y128 PolarHBondContact N-O 3.21Å; F116-Y128 PolarHBondContact O-N 3.43Å; F116-I130 HydrophobicContact CB-CD1 3.83Å; F116-I130 HydrophobicContact CB-CG1 4.4Å; F116-I130 HydrophobicContact CD2-CB 3.64Å; F116-I130 HydrophobicContact CD2-CD1 3.7Å; F116-I130 HydrophobicContact CD2-CG1 3.75Å; F116-I130 HydrophobicContact CE2-CB 3.86Å; F116-I130 HydrophobicContact CE2-CD1 4.45Å; F116-I130 HydrophobicContact CE2-CG1 4.45Å; F116-I130 HydrophobicContact CE2-CG2 4.49Å; F116-I130 HydrophobicContact CG-CD1 3.79Å; F116-I130 HydrophobicContact CG-CG1 4.31Å; F116-L132 HydrophobicContact CZ-CD1 4.12Å
117V93.7Very high87.3Confident1 Ų148.5 Ų48.51%0.00625%0.25CS..EExtended strand (participates in β ladder)trans-88.2114167.2-176.90000106.8V102 G103 C125 N126 L127 V147 F154 F163V102-V117 HydrophobicContact CB-CB 4.33Å; V102-V117 HydrophobicContact CB-CG1 4.06Å; V102-V117 HydrophobicContact CG1-CG1 4.34Å; V102-V117 PolarHBondContact N-O 2.75Å; G103-V117 PolarHBondContact O-N 3.25Å; V117-C125 HydrophobicContact CG1-CB 3.79Å; V117-N126 WeakPolarHBondContact CA-O 3.21Å; V117-L127 HydrophobicContact CG2-CD1 3.81Å; V117-V147 HydrophobicContact CG1-CB 4.44Å; V117-V147 HydrophobicContact CG1-CG1 4.05Å; V117-V147 HydrophobicContact CG2-CG1 4.21Å; V117-F154 HydrophobicContact CB-CE1 4.36Å; V117-F154 HydrophobicContact CB-CZ 4.19Å; V117-F154 HydrophobicContact CG1-CE1 4.43Å; V117-F154 HydrophobicContact CG2-CD1 4.42Å; V117-F154 HydrophobicContact CG2-CD2 4.3Å; V117-F154 HydrophobicContact CG2-CE1 4.05Å; V117-F154 HydrophobicContact CG2-CE2 3.93Å; V117-F154 HydrophobicContact CG2-CZ 3.78Å; V117-F163 HydrophobicContact CG2-CE2 4.42Å; V117-F163 HydrophobicContact CG2-CZ 4.12Å
118L93.8Very high87.6Confident3 Ų346.6 Ų46.62%0.01624%0.237CC..EExtended strand (participates in β ladder)trans-115.4135.1-176.7-55.5-176.7000110.8L97 Y99 K100 P101 F116 R120 C125 N126 Y128 I130L97-L118 HydrophobicContact CD1-CD1 4.32Å; L97-L118 HydrophobicContact CD1-CD2 3.67Å; Y99-L118 HydrophobicContact CD2-CB 4.47Å; Y99-L118 HydrophobicContact CD2-CD1 4.34Å; K100-L118 WeakPolarHBondContact O-CA 3.4Å; P101-L118 HydrophobicContact CB-CD2 4.06Å; F116-L118 HydrophobicContact CB-CD2 3.88Å; F116-L118 HydrophobicContact CB-CG 4.1Å; L118-R120 PolarHBondContact O-N 2.78Å; L118-C125 VanDerWaalsContact O-CA 3.25Å; L118-C125 WeakPolarHBondContact O-CA 2.99Å; L118-N126 PolarHBondContact N-O 3.39Å; L118-N126 PolarHBondContact O-N 3.05Å; L118-N126 VanDerWaalsContact O-N 3.07Å; L118-Y128 HydrophobicContact CB-CD2 3.92Å; L118-Y128 HydrophobicContact CB-CE2 3.89Å; L118-Y128 HydrophobicContact CD1-CD2 3.72Å; L118-Y128 HydrophobicContact CD1-CE2 4.11Å; L118-Y128 HydrophobicContact CD1-CG 4.3Å; L118-Y128 HydrophobicContact CG-CD2 3.8Å; L118-Y128 HydrophobicContact CG-CE2 4.25Å; L118-I130 HydrophobicContact CD1-CD1 4.11Å
119E92Very high88Confident33 Ų3349.4 Ų49.415%0.15424%0.242CC..EExtended strand (participates in β ladder)trans-82.5104.4174.5-175.3175.7-151.900109.8Y99 K100 V102 N121 P122 C125 Q149Y99-E119 WeakPolarHBondContact CB-O 3.49Å; K100-E119 HydrophobicContact CB-CB 4.37Å; K100-E119 WeakPolarHBondContact CD-OE2 3.4Å; K100-E119 IonicContact NZ-OE2 3.69Å; K100-E119 PolarHBondContact NZ-OE2 2.86Å; K100-E119 PolarHBondContact O-N 2.78Å; V102-E119 HydrophobicContact CG2-CB 3.94Å; E119-N121 VanDerWaalsContact CG-O 3.3Å; E119-N121 WeakPolarHBondContact CG-O 3.39Å; E119-P122 WeakPolarHBondContact OE1-CA 3.36Å; E119-C125 VanDerWaalsContact CA-SG 3.55Å; E119-Q149 PolarHBondContact OE1-NE2 2.85Å
120R83.7Confident88.7Confident141 Ų14147.6 Ų47.653%0.53223%0.23SC..EExtended strand (participates in β ladder)trans-78.3-44.7177.3-169.4178.1-174.5-169.5-0.5110.4Y99 L118 V124Y99-R120 HydrophobicContact CD1-CG 4.47Å; Y99-R120 HydrophobicContact CE1-CG 3.97Å; Y99-R120 HydrophobicContact CE2-CG 4.26Å; L118-R120 PolarHBondContact O-N 2.78Å; R120-V124 PolarHBondContact N-O 2.77Å
121N81.9Confident89.3Confident93 Ų9339.9 Ų39.950%0.49720%0.199SC..EExtended strand (participates in β ladder)trans-135.2160.9176.5-6310.3000108E119 E123 V124E119-N121 VanDerWaalsContact CG-O 3.3Å; E119-N121 WeakPolarHBondContact CG-O 3.39Å; N121-E123 PolarHBondContact O-N 2.63Å; N121-V124 PolarHBondContact O-N 2.89Å
122P77.4Confident89.7Confident106 Ų10636.5 Ų36.569%0.68818%0.177SC*.THydrogen-bonded Turntrans-55.2-9.9179.8-25.433.5000116.2E119 Q149E119-P122 WeakPolarHBondContact OE1-CA 3.36Å; P122-Q149 PolarHBondContact O-NE2 3.43Å
123E77.8Confident89.8Confident180 Ų18037.2 Ų37.284%0.84118%0.18SC*.THydrogen-bonded Turntrans-120.8-6.4178.5-60-162.7165.200114.4N121N121-E123 PolarHBondContact O-N 2.63Å
124V83.7Confident89.6Confident37 Ų3741.2 Ų41.222%0.22421%0.207CC..EExtended strand (participates in β ladder)trans-132.1112.5-171.5-174.10000111.1R120 N121R120-V124 PolarHBondContact N-O 2.77Å; N121-V124 PolarHBondContact O-N 2.89Å
125C91.6Very high89.2Confident1 Ų144.5 Ų44.51%0.00724%0.24CC..EExtended strand (participates in β ladder)trans-106.5146.3167.4-69.30000111.7V117 L118 E119 H146 V147 Q149V117-C125 HydrophobicContact CG1-CB 3.79Å; L118-C125 VanDerWaalsContact O-CA 3.25Å; L118-C125 WeakPolarHBondContact O-CA 2.99Å; E119-C125 VanDerWaalsContact CA-SG 3.55Å; C125-H146 CarbonylContact O-C 3.48Å; C125-H146 WeakPolarHBondContact O-CA 3.25Å; C125-H146 PolarHBondContact O-N 3.4Å; C125-H146 VanDerWaalsContact O-N 3.12Å; C125-V147 WeakPolarHBondContact CB-O 3.32Å; C125-V147 PolarHBondContact O-N 2.9Å; C125-Q149 HydrophobicContact CB-CG 4.45Å; C125-Q149 WeakPolarHBondContact SG-CG 3.32Å
126N92.6Very high88.7Confident9 Ų945.1 Ų45.15%0.04825%0.251CS..EExtended strand (participates in β ladder)trans-128.9151.3175.3-61.1-33.8000109.9V117 L118 Y128 A144 Q145 H146V117-N126 WeakPolarHBondContact CA-O 3.21Å; L118-N126 PolarHBondContact N-O 3.39Å; L118-N126 PolarHBondContact O-N 3.05Å; L118-N126 VanDerWaalsContact O-N 3.07Å; N126-Y128 HydrophobicContact CB-CD2 4.29Å; N126-Y128 HydrophobicContact CB-CE2 3.57Å; N126-Y128 PolarHBondContact ND2-OH 2.87Å; N126-Y128 WeakPolarHBondContact O-CD2 3.48Å; N126-A144 WeakPolarHBondContact CA-O 3.33Å; N126-A144 WeakPolarHBondContact CB-O 3.4Å; N126-Q145 WeakPolarHBondContact OD1-CA 3.43Å; N126-H146 PolarHBondContact OD1-N 3.14Å; N126-H146 VanDerWaalsContact OD1-N 3.16Å
127L92.8Very high88.5Confident0 Ų051.8 Ų51.80%028%0.277CS..EExtended strand (participates in β ladder)trans-89.3123.9171-174.672000109.5Y115 F116 V117 V143 A144 V147 F156 F163 L176Y115-L127 HydrophobicContact CD1-CD2 4.34Å; Y115-L127 HydrophobicContact CD1-CG 4.38Å; F116-L127 WeakPolarHBondContact O-CA 3.18Å; V117-L127 HydrophobicContact CG2-CD1 3.81Å; L127-V143 HydrophobicContact CB-CB 4.37Å; L127-V143 HydrophobicContact CD2-CB 3.89Å; L127-V143 HydrophobicContact CD2-CG1 3.77Å; L127-V143 HydrophobicContact CG-CB 4.11Å; L127-V143 PolarHBondContact O-N 2.71Å; L127-A144 HydrophobicContact CB-CB 3.98Å; L127-A144 HydrophobicContact CD2-CB 4.49Å; L127-A144 PolarHBondContact N-O 3.43Å; L127-A144 PolarHBondContact O-N 3.17Å; L127-V147 HydrophobicContact CB-CG2 4.14Å; L127-F156 HydrophobicContact CD1-CZ 4.34Å; L127-F163 HydrophobicContact CB-CE1 4.46Å; L127-F163 HydrophobicContact CD1-CD2 4.29Å; L127-F163 HydrophobicContact CD1-CE1 4.32Å; L127-F163 HydrophobicContact CD1-CE2 3.94Å; L127-F163 HydrophobicContact CD1-CZ 3.95Å; L127-F163 HydrophobicContact CD2-CB 4.15Å; L127-F163 HydrophobicContact CD2-CD1 3.52Å; L127-F163 HydrophobicContact CD2-CD2 4.14Å; L127-F163 HydrophobicContact CD2-CE1 3.82Å; L127-F163 HydrophobicContact CD2-CE2 4.4Å; L127-F163 HydrophobicContact CD2-CG 3.67Å; L127-F163 HydrophobicContact CD2-CZ 4.25Å; L127-F163 HydrophobicContact CG-CE1 4.45Å; L127-L176 HydrophobicContact CD2-CD2 4.35Å
128Y93.1Very high88.4Confident11 Ų1154 Ų544%0.04329%0.287CS..EExtended strand (participates in β ladder)trans-113.4138.5174.4-64.3-92000110.2Y115 F116 L118 N126 R140 A141 V142Y115-Y128 CarbonylContact C-O 3.24Å; Y115-Y128 VanDerWaalsContact CA-O 3.27Å; Y115-Y128 WeakPolarHBondContact CA-O 3.49Å; F116-Y128 PolarHBondContact N-O 3.21Å; F116-Y128 PolarHBondContact O-N 3.43Å; L118-Y128 HydrophobicContact CB-CD2 3.92Å; L118-Y128 HydrophobicContact CB-CE2 3.89Å; L118-Y128 HydrophobicContact CD1-CD2 3.72Å; L118-Y128 HydrophobicContact CD1-CE2 4.11Å; L118-Y128 HydrophobicContact CD1-CG 4.3Å; L118-Y128 HydrophobicContact CG-CD2 3.8Å; L118-Y128 HydrophobicContact CG-CE2 4.25Å; N126-Y128 HydrophobicContact CB-CD2 4.29Å; N126-Y128 HydrophobicContact CB-CE2 3.57Å; N126-Y128 PolarHBondContact ND2-OH 2.87Å; N126-Y128 WeakPolarHBondContact O-CD2 3.48Å; Y128-R140 HydrophobicContact CD1-CB 4.42Å; Y128-A141 CarbonylContact C-O 3.6Å; Y128-A141 VanDerWaalsContact CA-O 3.3Å; Y128-A141 WeakPolarHBondContact CA-O 3.32Å; Y128-V142 HydrophobicContact CD1-CG2 3.94Å; Y128-V142 HydrophobicContact CE1-CG2 3.49Å; Y128-V142 VanDerWaalsContact CE1-CG2 3.49Å
129R93.3Very high88.4Confident100 Ų10058.5 Ų58.538%0.37731%0.311SS..EExtended strand (participates in β ladder)trans-87.2118.1160.7-176.4177.7173.8-81.61.6107.3V113 Y115 R140 A141 V143V113-R129 HydrophobicContact CG1-CG 3.99Å; Y115-R129 HydrophobicContact CD1-CB 3.98Å; Y115-R129 HydrophobicContact CD1-CG 4.39Å; Y115-R129 HydrophobicContact CE1-CB 3.67Å; Y115-R129 HydrophobicContact CE1-CG 3.85Å; R129-R140 CarbonylContact O-C 3.37Å; R129-R140 WeakPolarHBondContact O-CA 3.42Å; R129-A141 PolarHBondContact N-O 2.99Å; R129-A141 PolarHBondContact O-N 2.79Å; R129-V143 HydrophobicContact CB-CG2 3.72Å
130I94.2Very high88.4Confident0 Ų061.8 Ų61.80%032%0.322CS..EExtended strand (participates in β ladder)trans-117.7130-177.5-56.2-174.6000109.6L97 V113 G114 F116 L118 L132 F138 D139 R140L97-I130 HydrophobicContact CD1-CD1 4.5Å; L97-I130 HydrophobicContact CD2-CD1 3.94Å; V113-I130 WeakPolarHBondContact CA-O 3.5Å; G114-I130 PolarHBondContact N-O 3.09Å; G114-I130 PolarHBondContact O-N 3.43Å; F116-I130 HydrophobicContact CB-CD1 3.83Å; F116-I130 HydrophobicContact CB-CG1 4.4Å; F116-I130 HydrophobicContact CD2-CB 3.64Å; F116-I130 HydrophobicContact CD2-CD1 3.7Å; F116-I130 HydrophobicContact CD2-CG1 3.75Å; F116-I130 HydrophobicContact CE2-CB 3.86Å; F116-I130 HydrophobicContact CE2-CD1 4.45Å; F116-I130 HydrophobicContact CE2-CG1 4.45Å; F116-I130 HydrophobicContact CE2-CG2 4.49Å; F116-I130 HydrophobicContact CG-CD1 3.79Å; F116-I130 HydrophobicContact CG-CG1 4.31Å; L118-I130 HydrophobicContact CD1-CD1 4.11Å; I130-L132 HydrophobicContact CG2-CD2 3.82Å; I130-L132 HydrophobicContact CG2-CG 4.29Å; I130-F138 HydrophobicContact CG2-CB 3.83Å; I130-F138 HydrophobicContact CG2-CD2 3.83Å; I130-F138 HydrophobicContact CG2-CG 4.11Å; I130-D139 CarbonylContact C-O 3.58Å; I130-D139 VanDerWaalsContact CA-O 3.26Å; I130-D139 WeakPolarHBondContact CA-O 3.22Å; I130-R140 HydrophobicContact CG1-CB 4.14Å
131V93.7Very high88.8Confident20 Ų2057.4 Ų57.412%0.12132%0.316CS..EExtended strand (participates in β ladder)trans-99.4112.8169.3-173.20000107.3P111 V113 F138 D139P111-V131 HydrophobicContact CB-CG1 4.05Å; P111-V131 HydrophobicContact CG-CG1 4.22Å; V113-V131 HydrophobicContact CG1-CG2 4.41Å; V113-V131 HydrophobicContact CG2-CG1 4.29Å; V113-V131 HydrophobicContact CG2-CG2 4.12Å; V131-F138 CarbonylContact O-C 3.55Å; V131-F138 WeakPolarHBondContact O-CA 3.5Å; V131-F138 VanDerWaalsContact O-CB 3.28Å; V131-F138 WeakPolarHBondContact O-CB 3.12Å; V131-D139 HydrophobicContact CB-CB 4.32Å; V131-D139 PolarHBondContact N-O 3.32Å; V131-D139 PolarHBondContact O-N 2.9Å
132L91.9Very high89.2Confident3 Ų356.8 Ų56.82%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-90.7112.3177.9-62.1173.6000108.5I81 W95 L112 F116 I130 F138I81-L132 HydrophobicContact CD1-CD2 4.47Å; I81-L132 HydrophobicContact CG2-CD1 4.31Å; W95-L132 HydrophobicContact CB-CD2 4.17Å; W95-L132 HydrophobicContact CD2-CB 4.18Å; W95-L132 HydrophobicContact CD2-CD1 4.41Å; W95-L132 HydrophobicContact CD2-CD2 3.98Å; W95-L132 HydrophobicContact CD2-CG 4.42Å; W95-L132 HydrophobicContact CE3-CD1 4.32Å; W95-L132 HydrophobicContact CG-CD2 3.77Å; W95-L132 HydrophobicContact CH2-CB 4.48Å; W95-L132 HydrophobicContact CZ2-CB 3.89Å; W95-L132 HydrophobicContact CZ3-CD1 4.47Å; L112-L132 HydrophobicContact CB-CB 4.2Å; L112-L132 PolarHBondContact O-N 3.19Å; F116-L132 HydrophobicContact CZ-CD1 4.12Å; I130-L132 HydrophobicContact CG2-CD2 3.82Å; I130-L132 HydrophobicContact CG2-CG 4.29Å; L132-F138 HydrophobicContact CD2-CB 4.07Å
133N90.4Very high89.7Confident22 Ų2254.2 Ų54.212%0.11830%0.298CS..  trans-101.6147.4-177.2-61.2-55000111W95 G136 Y137 D139W95-N133 PolarHBondContact NE1-O 2.9Å; N133-G136 PolarHBondContact O-N 3.21Å; N133-Y137 HydrophobicContact CB-CD1 4.16Å; N133-Y137 HydrophobicContact CB-CD2 3.51Å; N133-Y137 HydrophobicContact CB-CE1 3.81Å; N133-Y137 HydrophobicContact CB-CE2 3.08Å; N133-Y137 HydrophobicContact CB-CG 4.02Å; N133-Y137 WeakPolarHBondContact CB-O 3.31Å; N133-Y137 PolarHBondContact N-O 2.9Å; N133-Y137 VanDerWaalsContact ND2-CD2 3.32Å; N133-Y137 WeakPolarHBondContact ND2-CD2 3.47Å; N133-Y137 WeakPolarHBondContact ND2-CE2 3.32Å; N133-D139 PolarHBondContact ND2-OD2 2.96Å
134P85.2Confident90.1Very high91 Ų9145.9 Ų45.959%0.59126%0.26SS*.THydrogen-bonded Turntrans-57.5140.1178.7-22.132.4000111.8Y137P134-Y137 WeakPolarHBondContact O-CE1 3.29Å
135G82.9Confident90.4Very high68 Ų6849.7 Ų49.770%0.70128%0.275SS*.THydrogen-bonded Turntrans88.715.5-176.100000114.6D93 Y137D93-G135 PolarHBondContact OD1-N 3.45Å; G135-Y137 PolarHBondContact O-N 3.2Å
136G84.1Confident90.1Very high28 Ų2855.5 Ų55.529%0.28930%0.302SS..SBendtrans85.52.1163.900000117T94 W95 N133T94-G136 WeakPolarHBondContact O-CA 3.15Å; W95-G136 VanDerWaalsContact CD1-C 3.43Å; N133-G136 PolarHBondContact O-N 3.21Å
137Y89.3Confident90Very high141 Ų14155.4 Ų55.455%0.55330%0.302SS*.  trans-89.8154.1172.165.3-82.7000111.8N133 P134 G135N133-Y137 HydrophobicContact CB-CD1 4.16Å; N133-Y137 HydrophobicContact CB-CD2 3.51Å; N133-Y137 HydrophobicContact CB-CE1 3.81Å; N133-Y137 HydrophobicContact CB-CE2 3.08Å; N133-Y137 HydrophobicContact CB-CG 4.02Å; N133-Y137 WeakPolarHBondContact CB-O 3.31Å; N133-Y137 PolarHBondContact N-O 2.9Å; N133-Y137 VanDerWaalsContact ND2-CD2 3.32Å; N133-Y137 WeakPolarHBondContact ND2-CD2 3.47Å; N133-Y137 WeakPolarHBondContact ND2-CE2 3.32Å; P134-Y137 WeakPolarHBondContact O-CE1 3.29Å; G135-Y137 PolarHBondContact O-N 3.2Å
138F92.2Very high89.7Confident47 Ų4756.3 Ų56.321%0.20631%0.307CS..EExtended strand (participates in β ladder)trans-146148.6178.366.1-89.4000112.1K96 L97 I130 V131 L132K96-F138 VanDerWaalsContact O-CE1 3.3Å; K96-F138 WeakPolarHBondContact O-CE1 3.49Å; L97-F138 HydrophobicContact CD2-CD1 4.32Å; L97-F138 HydrophobicContact CD2-CD2 4.35Å; L97-F138 HydrophobicContact CD2-CE1 4.11Å; L97-F138 HydrophobicContact CD2-CE2 4.13Å; L97-F138 HydrophobicContact CD2-CG 4.45Å; L97-F138 HydrophobicContact CD2-CZ 4Å; I130-F138 HydrophobicContact CG2-CB 3.83Å; I130-F138 HydrophobicContact CG2-CD2 3.83Å; I130-F138 HydrophobicContact CG2-CG 4.11Å; V131-F138 CarbonylContact O-C 3.55Å; V131-F138 WeakPolarHBondContact O-CA 3.5Å; V131-F138 VanDerWaalsContact O-CB 3.28Å; V131-F138 WeakPolarHBondContact O-CB 3.12Å; L132-F138 HydrophobicContact CD2-CB 4.07Å
139D92.1Very high89.4Confident98 Ų9859.8 Ų59.852%0.52432%0.324SS..EExtended strand (participates in β ladder)trans-105.6140.8172.4-60.2-59.4000109.6I130 V131 N133I130-D139 CarbonylContact C-O 3.58Å; I130-D139 VanDerWaalsContact CA-O 3.26Å; I130-D139 WeakPolarHBondContact CA-O 3.22Å; V131-D139 HydrophobicContact CB-CB 4.32Å; V131-D139 PolarHBondContact N-O 3.32Å; V131-D139 PolarHBondContact O-N 2.9Å; N133-D139 PolarHBondContact ND2-OD2 2.96Å
140R92.2Very high89Confident101 Ų10158.3 Ų58.338%0.38132%0.324SS..EExtended strand (participates in β ladder)trans-128.8145.1179.270.9176.1178.2-165.1-10.2113.3E98 Y128 R129 I130E98-R140 VanDerWaalsContact CD-NH1 3.34Å; E98-R140 VanDerWaalsContact CD-NH2 3.34Å; E98-R140 IonicContact OE1-CZ 2.89Å; E98-R140 IonicContact OE1-NH1 3.49Å; E98-R140 IonicContact OE1-NH2 3.82Å; E98-R140 PolarHBondContact OE1-NH2 3.47Å; E98-R140 IonicContact OE2-CZ 2.81Å; E98-R140 IonicContact OE2-NH1 2.81Å; E98-R140 PolarHBondContact OE2-NH1 2.86Å; E98-R140 IonicContact OE2-NH2 2.69Å; E98-R140 PolarHBondContact OE2-NH2 2.88Å; Y128-R140 HydrophobicContact CD1-CB 4.42Å; R129-R140 CarbonylContact O-C 3.37Å; R129-R140 WeakPolarHBondContact O-CA 3.42Å; I130-R140 HydrophobicContact CG1-CB 4.14Å
141A91.6Very high88.5Confident50 Ų5060.6 Ų60.641%0.41334%0.335SS..EExtended strand (participates in β ladder)trans-130.3137.3167.700000110Y128 R129Y128-A141 CarbonylContact C-O 3.6Å; Y128-A141 VanDerWaalsContact CA-O 3.3Å; Y128-A141 WeakPolarHBondContact CA-O 3.32Å; R129-A141 PolarHBondContact N-O 2.99Å; R129-A141 PolarHBondContact O-N 2.79Å
142V90.7Very high87.9Confident80 Ų8061.2 Ų61.249%0.48534%0.336SS..EExtended strand (participates in β ladder)trans-75.5127.6175-179.30000108.8Y128 Q145Y128-V142 HydrophobicContact CD1-CG2 3.94Å; Y128-V142 HydrophobicContact CE1-CG2 3.49Å; Y128-V142 VanDerWaalsContact CE1-CG2 3.49Å; V142-Q145 HydrophobicContact CG1-CG 3.92Å
143V88.9Confident87.7Confident52 Ų5264.7 Ų64.732%0.31535%0.349SS..EExtended strand (participates in β ladder)trans-106.3-43.8-179.4-178.20000110.9Y115 L127 R129 L176Y115-V143 HydrophobicContact CD1-CG2 4.12Å; Y115-V143 HydrophobicContact CE1-CG2 3.87Å; L127-V143 HydrophobicContact CB-CB 4.37Å; L127-V143 HydrophobicContact CD2-CB 3.89Å; L127-V143 HydrophobicContact CD2-CG1 3.77Å; L127-V143 HydrophobicContact CG-CB 4.11Å; L127-V143 PolarHBondContact O-N 2.71Å; R129-V143 HydrophobicContact CB-CG2 3.72Å; V143-L176 HydrophobicContact CG1-CD2 3.64Å
144A86.5Confident87.7Confident5 Ų564.4 Ų64.44%0.04135%0.347CS..EExtended strand (participates in β ladder)trans-146.2149.9178.200000110.4N126 L127 V147N126-A144 WeakPolarHBondContact CA-O 3.33Å; N126-A144 WeakPolarHBondContact CB-O 3.4Å; L127-A144 HydrophobicContact CB-CB 3.98Å; L127-A144 HydrophobicContact CD2-CB 4.49Å; L127-A144 PolarHBondContact N-O 3.43Å; L127-A144 PolarHBondContact O-N 3.17Å; A144-V147 HydrophobicContact CB-CG2 4.02Å
145Q88.3Confident87.9Confident116 Ų11660.8 Ų60.854%0.54232%0.324SS..EExtended strand (participates in β ladder)trans-115.1157177.1-62.3179.45.300110.8N126 V142 V147N126-Q145 WeakPolarHBondContact OD1-CA 3.43Å; V142-Q145 HydrophobicContact CG1-CG 3.92Å; Q145-V147 PolarHBondContact O-N 3.06Å
146H87.2Confident88.2Confident124 Ų12458.7 Ų58.757%0.57430%0.296SS*.EExtended strand (participates in β ladder)trans57.146.5179-56.8-79.6000113.4C125 N126C125-H146 CarbonylContact O-C 3.48Å; C125-H146 WeakPolarHBondContact O-CA 3.25Å; C125-H146 PolarHBondContact O-N 3.4Å; C125-H146 VanDerWaalsContact O-N 3.12Å; N126-H146 PolarHBondContact OD1-N 3.14Å; N126-H146 VanDerWaalsContact OD1-N 3.16Å
147V88.9Confident88.2Confident7 Ų757.4 Ų57.44%0.04228%0.282CS..EExtended strand (participates in β ladder)trans-79.8150.5173.2-178.20000109V117 C125 L127 A144 Q145 F163 Y165V117-V147 HydrophobicContact CG1-CB 4.44Å; V117-V147 HydrophobicContact CG1-CG1 4.05Å; V117-V147 HydrophobicContact CG2-CG1 4.21Å; C125-V147 WeakPolarHBondContact CB-O 3.32Å; C125-V147 PolarHBondContact O-N 2.9Å; L127-V147 HydrophobicContact CB-CG2 4.14Å; A144-V147 HydrophobicContact CB-CG2 4.02Å; Q145-V147 PolarHBondContact O-N 3.06Å; V147-F163 HydrophobicContact CG1-CE1 3.97Å; V147-F163 HydrophobicContact CG1-CZ 3.8Å; V147-F163 HydrophobicContact CG2-CE1 4.28Å; V147-Y165 HydrophobicContact CG1-CG 4.41Å
148P87.4Confident87.9Confident18 Ų1853.7 Ų53.712%0.11727%0.27CS..  trans-63.7151.1177.7-21.934000113R153 Y165 I166P148-R153 HydrophobicContact CB-CB 3.81Å; P148-R153 HydrophobicContact CG-CB 4Å; P148-Y165 HydrophobicContact CG-CD2 4.27Å; P148-I166 WeakPolarHBondContact CG-O 3.44Å
149Q87.1Confident87.4Confident84 Ų8459.6 Ų59.639%0.39329%0.291SS..SBendtrans-80.1-20170.7-81.8173.4-9.900113.7V102 E119 P122 C125V102-Q149 WeakPolarHBondContact CG1-O 3.49Å; E119-Q149 PolarHBondContact OE1-NE2 2.85Å; P122-Q149 PolarHBondContact O-NE2 3.43Å; C125-Q149 HydrophobicContact CB-CG 4.45Å; C125-Q149 WeakPolarHBondContact SG-CG 3.32Å
150D85.4Confident87Confident70 Ų7056.8 Ų56.837%0.37428%0.276SS..  trans-86.6121.6-179.4-171.2-9.9000110K152 R153D150-K152 PolarHBondContact O-N 3.33Å; D150-K152 WeakPolarHBondContact OD1-CB 3.1Å; D150-K152 PolarHBondContact OD1-N 3.45Å; D150-R153 HydrophobicContact CB-CB 4.38Å; D150-R153 HydrophobicContact CB-CG 4.09Å; D150-R153 WeakPolarHBondContact O-CA 3.22Å; D150-R153 WeakPolarHBondContact O-CB 3.37Å; D150-R153 PolarHBondContact O-N 2.79Å
151L82.4Confident86.6Confident47 Ų4754.7 Ų54.725%0.24627%0.272CS..G310 helixtrans-56.1-31.6173.9-78.2141000113F59 V102 R153 F154 W280F59-L151 HydrophobicContact CD1-CD1 4.34Å; F59-L151 HydrophobicContact CE1-CD1 3.35Å; F59-L151 HydrophobicContact CE1-CD2 4.24Å; F59-L151 HydrophobicContact CE1-CG 4.35Å; F59-L151 HydrophobicContact CZ-CD1 3.9Å; V102-L151 WeakPolarHBondContact O-CD1 3.35Å; V102-L151 WeakPolarHBondContact O-CD2 3.38Å; V102-L151 VanDerWaalsContact O-CG 3.27Å; V102-L151 WeakPolarHBondContact O-CG 3.45Å; L151-R153 PolarHBondContact O-N 3.32Å; L151-R153 VanDerWaalsContact O-N 3.14Å; L151-F154 HydrophobicContact CD2-CE1 4.2Å; L151-F154 HydrophobicContact CD2-CE2 4.26Å; L151-F154 HydrophobicContact CD2-CZ 3.58Å; L151-F154 HydrophobicContact CG-CE1 4.24Å; L151-F154 HydrophobicContact CG-CZ 4.12Å; L151-F154 PolarHBondContact O-N 2.85Å; L151-W280 HydrophobicContact CB-CH2 4.23Å
152K82.2Confident86.3Confident33 Ų3352.6 Ų52.614%0.14325%0.254CS..G310 helixtrans-65-16.6176.5-63.1-175.5174.7-156.20111.5D150 C195 I196 E234 W280D150-K152 PolarHBondContact O-N 3.33Å; D150-K152 WeakPolarHBondContact OD1-CB 3.1Å; D150-K152 PolarHBondContact OD1-N 3.45Å; K152-C195 CarbonylContact O-C 3.6Å; K152-C195 WeakPolarHBondContact O-CA 3.32Å; K152-I196 WeakPolarHBondContact O-CG2 3.3Å; K152-I196 PolarHBondContact O-N 2.67Å; K152-E234 WeakPolarHBondContact CD-O 2.92Å; K152-E234 WeakPolarHBondContact CE-O 3.39Å; K152-E234 PolarHBondContact NZ-O 2.84Å; K152-E234 IonicContact NZ-OE2 2.76Å; K152-E234 PolarHBondContact NZ-OE2 2.71Å; K152-W280 HydrophobicContact CG-CH2 4.32Å; K152-W280 HydrophobicContact CG-CZ3 4.21Å
153R86.3Confident86.2Confident76 Ų7648.8 Ų48.829%0.28723%0.231SC..G310 helixtrans-102.36.7-176.2-65.3-172.3175.8-178.5-3.1114.9P148 D150 L151 Y165 I166P148-R153 HydrophobicContact CB-CB 3.81Å; P148-R153 HydrophobicContact CG-CB 4Å; D150-R153 HydrophobicContact CB-CB 4.38Å; D150-R153 HydrophobicContact CB-CG 4.09Å; D150-R153 WeakPolarHBondContact O-CA 3.22Å; D150-R153 WeakPolarHBondContact O-CB 3.37Å; D150-R153 PolarHBondContact O-N 2.79Å; L151-R153 PolarHBondContact O-N 3.32Å; L151-R153 VanDerWaalsContact O-N 3.14Å; R153-Y165 CarbonylContact O-C 3.4Å; R153-Y165 WeakPolarHBondContact O-CA 3.42Å; R153-I166 HydrophobicContact CB-CB 4.22Å; R153-I166 PolarHBondContact O-N 2.94Å
154F90.9Very high86.2Confident16 Ų1646.3 Ų46.37%0.0722%0.216CC..EExtended strand (participates in β ladder)trans-141.5155.1168.468.5-97.7000112.9V102 V117 L151 F163 A164 I196V102-F154 HydrophobicContact CG1-CE1 4.29Å; V117-F154 HydrophobicContact CB-CE1 4.36Å; V117-F154 HydrophobicContact CB-CZ 4.19Å; V117-F154 HydrophobicContact CG1-CE1 4.43Å; V117-F154 HydrophobicContact CG2-CD1 4.42Å; V117-F154 HydrophobicContact CG2-CD2 4.3Å; V117-F154 HydrophobicContact CG2-CE1 4.05Å; V117-F154 HydrophobicContact CG2-CE2 3.93Å; V117-F154 HydrophobicContact CG2-CZ 3.78Å; L151-F154 HydrophobicContact CD2-CE1 4.2Å; L151-F154 HydrophobicContact CD2-CE2 4.26Å; L151-F154 HydrophobicContact CD2-CZ 3.58Å; L151-F154 HydrophobicContact CG-CE1 4.24Å; L151-F154 HydrophobicContact CG-CZ 4.12Å; L151-F154 PolarHBondContact O-N 2.85Å; F154-F163 HydrophobicContact CB-CE2 3.92Å; F154-F163 HydrophobicContact CB-CZ 3.69Å; F154-F163 AromaticContact CD2-CE2 3.6Å; F154-F163 HydrophobicContact CD2-CE2 3.6Å; F154-F163 AromaticContact CD2-CZ 4Å; F154-F163 HydrophobicContact CD2-CZ 4Å; F154-F163 HydrophobicContact CE2-CE2 4.43Å; F154-F163 HydrophobicContact CG-CE2 4.02Å; F154-F163 AromaticContact CG-CZ 3.96Å; F154-F163 HydrophobicContact CG-CZ 3.96Å; F154-A164 CarbonylContact C-O 3.56Å; F154-A164 VanDerWaalsContact CA-O 3.22Å; F154-A164 WeakPolarHBondContact CA-O 3.38Å; F154-A164 WeakPolarHBondContact CB-O 3.46Å; F154-I196 VanDerWaalsContact C-CG2 3.4Å; F154-I196 VanDerWaalsContact CA-CG2 3.44Å; F154-I196 VanDerWaalsContact N-CG2 3.28Å
155C89.8Confident86.5Confident15 Ų1546.3 Ų46.310%0.10122%0.215CC..EExtended strand (participates in β ladder)trans-153.1162.3176.668.40000112.4A164 I196 G198C155-A164 PolarHBondContact N-O 3.18Å; C155-A164 PolarHBondContact O-N 2.83Å; C155-I196 HydrophobicContact CB-CG2 4.12Å; C155-G198 PolarHBondContact SG-N 3.06Å
156F87.9Confident86.4Confident25 Ų2540.9 Ų40.911%0.1119%0.19CC..EExtended strand (participates in β ladder)trans-100.1144167.4-63.2-90.2000109.9H105 Y115 L127 C162 F163 L176 G198H105-F156 HydrophobicContact CB-CD1 4.45Å; H105-F156 HydrophobicContact CB-CD2 3.39Å; H105-F156 HydrophobicContact CB-CE1 4.37Å; H105-F156 HydrophobicContact CB-CE2 3.3Å; H105-F156 HydrophobicContact CB-CG 4Å; H105-F156 HydrophobicContact CB-CZ 3.83Å; H105-F156 AromaticContact CD2-CD2 3.87Å; H105-F156 AromaticContact CG-CD2 3.79Å; Y115-F156 VanDerWaalsContact CB-CE1 3.46Å; Y115-F156 VanDerWaalsContact CB-CZ 3.46Å; Y115-F156 AromaticContact CD2-CE1 3.84Å; Y115-F156 HydrophobicContact CD2-CE1 3.84Å; Y115-F156 AromaticContact CG-CE1 3.81Å; Y115-F156 HydrophobicContact CG-CE1 3.81Å; Y115-F156 HydrophobicContact CG-CZ 4.32Å; L127-F156 HydrophobicContact CD1-CZ 4.34Å; F156-C162 CarbonylContact C-O 3.58Å; F156-C162 WeakPolarHBondContact CA-O 3.35Å; F156-F163 HydrophobicContact CD1-CB 4.4Å; F156-F163 AromaticContact CD1-CD2 3.92Å; F156-F163 HydrophobicContact CD1-CD2 3.92Å; F156-F163 HydrophobicContact CD2-CD2 4.42Å; F156-F163 HydrophobicContact CE1-CB 4.3Å; F156-F163 AromaticContact CE1-CD2 3.49Å; F156-F163 HydrophobicContact CE1-CD2 3.49Å; F156-F163 VanDerWaalsContact CE1-CD2 3.49Å; F156-F163 HydrophobicContact CE1-CE2 4.22Å; F156-F163 HydrophobicContact CE1-CG 4.3Å; F156-F163 HydrophobicContact CE2-CD2 4.03Å; F156-F163 HydrophobicContact CE2-CE2 4.08Å; F156-F163 HydrophobicContact CG-CD2 4.36Å; F156-F163 AromaticContact CZ-CD2 3.55Å; F156-F163 HydrophobicContact CZ-CD2 3.55Å; F156-F163 AromaticContact CZ-CE2 3.79Å; F156-F163 HydrophobicContact CZ-CE2 3.79Å; F156-L176 HydrophobicContact CD1-CD1 4.14Å; F156-L176 HydrophobicContact CE1-CD1 4.23Å; F156-G198 WeakPolarHBondContact O-CA 3.32Å
157A85Confident86.3Confident1 Ų136.6 Ų36.61%0.00817%0.173CC..EExtended strand (participates in β ladder)trans-139167.1179.500000111.1N160 N161 C162 H199 V205A157-N160 WeakPolarHBondContact O-CA 3.2Å; A157-N160 PolarHBondContact O-N 3.08Å; A157-N161 PolarHBondContact O-N 3.45Å; A157-C162 HydrophobicContact CB-CB 4.23Å; A157-C162 PolarHBondContact N-O 3.46Å; A157-C162 PolarHBondContact O-N 3.43Å; A157-H199 WeakPolarHBondContact CA-O 3.47Å; A157-V205 HydrophobicContact CB-CG2 4.22Å
158H83.5Confident85.7Confident63 Ų6343 Ų4329%0.29220%0.202SC..THydrogen-bonded Turntrans51.561.6172.9-169.344.9000113.6N160 N161 H199 N201 Q202 P203H158-N160 PolarHBondContact O-N 2.87Å; H158-N161 WeakPolarHBondContact O-CB 3.38Å; H158-N161 PolarHBondContact O-N 3.13Å; H158-N161 PolarHBondContact O-ND2 3.41Å; H158-H199 PolarHBondContact N-O 3.19Å; H158-N201 PolarHBondContact ND1-O 2.82Å; H158-Q202 PolarHBondContact N-O 2.84Å; H158-P203 HydrophobicContact CB-CB 4.3Å
159R81.8Confident85.2Confident170 Ų17050.4 Ų50.464%0.64223%0.232SC*.THydrogen-bonded Turntrans56.537.5-178.8-57.7179.8175.6171.2-1.7112N161 P200 N201R159-N161 PolarHBondContact O-N 3.24Å; R159-P200 WeakPolarHBondContact CA-O 3.3Å; R159-P200 PolarHBondContact N-O 2.9Å; R159-N201 PolarHBondContact NE-OD1 2.84Å
160N82.5Confident85Confident40 Ų4047 Ų4721%0.21422%0.218CC..THydrogen-bonded Turntrans62.421.1-176.5-46.6-45.9000114.5H105 V107 A157 H158 C162 L176H105-N160 VanDerWaalsContact CE1-CG 3.45Å; H105-N160 PolarHBondContact CE1-ND2 2.84Å; H105-N160 PolarHBondContact CE1-OD1 2.74Å; H105-N160 PolarHBondContact NE2-OD1 2.83Å; V107-N160 HydrophobicContact CB-CB 4.22Å; V107-N160 HydrophobicContact CG1-CB 3.4Å; A157-N160 WeakPolarHBondContact O-CA 3.2Å; A157-N160 PolarHBondContact O-N 3.08Å; H158-N160 PolarHBondContact O-N 2.87Å; N160-C162 VanDerWaalsContact C-N 3.34Å; N160-L176 WeakPolarHBondContact O-CD1 3.15Å
161N83.8Confident85Confident56 Ų5643.8 Ų43.830%0.29920%0.201SC..THydrogen-bonded Turntrans-84.4-13.6172.6-65.4-23.1000112.1A157 H158 R159 N175 L176 T177A157-N161 PolarHBondContact O-N 3.45Å; H158-N161 WeakPolarHBondContact O-CB 3.38Å; H158-N161 PolarHBondContact O-N 3.13Å; H158-N161 PolarHBondContact O-ND2 3.41Å; R159-N161 PolarHBondContact O-N 3.24Å; N161-N175 PolarHBondContact O-OD1 3.27Å; N161-L176 WeakPolarHBondContact O-CB 3.24Å; N161-L176 PolarHBondContact O-N 3.39Å; N161-T177 HydrophobicContact CB-CG2 3.86Å; N161-T177 WeakPolarHBondContact OD1-CG2 3.34Å
162C85.7Confident85.2Confident7 Ų741.6 Ų41.65%0.04719%0.189CC..EExtended strand (participates in β ladder)trans-123.8135.7178-60.70000110.6F156 A157 N160 V173 C174F156-C162 CarbonylContact C-O 3.58Å; F156-C162 WeakPolarHBondContact CA-O 3.35Å; A157-C162 HydrophobicContact CB-CB 4.23Å; A157-C162 PolarHBondContact N-O 3.46Å; A157-C162 PolarHBondContact O-N 3.43Å; N160-C162 VanDerWaalsContact C-N 3.34Å; C162-V173 HydrophobicContact CB-CG1 4.31Å; C162-C174 CarbonylContact C-O 3.51Å; C162-C174 WeakPolarHBondContact CA-O 3.26Å
163F89.1Confident85.3Confident0 Ų040.2 Ų40.20%018%0.184CC..EExtended strand (participates in β ladder)trans-114.1120.8168.8177.6-103.9000109V117 L127 V147 F154 F156 Y165 V173 C174 L176V117-F163 HydrophobicContact CG2-CE2 4.42Å; V117-F163 HydrophobicContact CG2-CZ 4.12Å; L127-F163 HydrophobicContact CB-CE1 4.46Å; L127-F163 HydrophobicContact CD1-CD2 4.29Å; L127-F163 HydrophobicContact CD1-CE1 4.32Å; L127-F163 HydrophobicContact CD1-CE2 3.94Å; L127-F163 HydrophobicContact CD1-CZ 3.95Å; L127-F163 HydrophobicContact CD2-CB 4.15Å; L127-F163 HydrophobicContact CD2-CD1 3.52Å; L127-F163 HydrophobicContact CD2-CD2 4.14Å; L127-F163 HydrophobicContact CD2-CE1 3.82Å; L127-F163 HydrophobicContact CD2-CE2 4.4Å; L127-F163 HydrophobicContact CD2-CG 3.67Å; L127-F163 HydrophobicContact CD2-CZ 4.25Å; L127-F163 HydrophobicContact CG-CE1 4.45Å; V147-F163 HydrophobicContact CG1-CE1 3.97Å; V147-F163 HydrophobicContact CG1-CZ 3.8Å; V147-F163 HydrophobicContact CG2-CE1 4.28Å; F154-F163 HydrophobicContact CB-CE2 3.92Å; F154-F163 HydrophobicContact CB-CZ 3.69Å; F154-F163 AromaticContact CD2-CE2 3.6Å; F154-F163 HydrophobicContact CD2-CE2 3.6Å; F154-F163 AromaticContact CD2-CZ 4Å; F154-F163 HydrophobicContact CD2-CZ 4Å; F154-F163 HydrophobicContact CE2-CE2 4.43Å; F154-F163 HydrophobicContact CG-CE2 4.02Å; F154-F163 AromaticContact CG-CZ 3.96Å; F154-F163 HydrophobicContact CG-CZ 3.96Å; F156-F163 HydrophobicContact CD1-CB 4.4Å; F156-F163 AromaticContact CD1-CD2 3.92Å; F156-F163 HydrophobicContact CD1-CD2 3.92Å; F156-F163 HydrophobicContact CD2-CD2 4.42Å; F156-F163 HydrophobicContact CE1-CB 4.3Å; F156-F163 AromaticContact CE1-CD2 3.49Å; F156-F163 HydrophobicContact CE1-CD2 3.49Å; F156-F163 VanDerWaalsContact CE1-CD2 3.49Å; F156-F163 HydrophobicContact CE1-CE2 4.22Å; F156-F163 HydrophobicContact CE1-CG 4.3Å; F156-F163 HydrophobicContact CE2-CD2 4.03Å; F156-F163 HydrophobicContact CE2-CE2 4.08Å; F156-F163 HydrophobicContact CG-CD2 4.36Å; F156-F163 AromaticContact CZ-CD2 3.55Å; F156-F163 HydrophobicContact CZ-CD2 3.55Å; F156-F163 AromaticContact CZ-CE2 3.79Å; F156-F163 HydrophobicContact CZ-CE2 3.79Å; F163-Y165 AromaticContact CD1-CD1 3.6Å; F163-Y165 HydrophobicContact CD1-CD1 3.6Å; F163-Y165 HydrophobicContact CD1-CE1 4.17Å; F163-Y165 AromaticContact CE1-CD1 3.33Å; F163-Y165 HydrophobicContact CE1-CD1 3.33Å; F163-Y165 HydrophobicContact CE1-CE1 4.05Å; F163-Y165 AromaticContact CE1-CG 3.94Å; F163-Y165 HydrophobicContact CE1-CG 3.94Å; F163-Y165 HydrophobicContact CZ-CD1 4.4Å; F163-V173 CarbonylContact O-C 3.57Å; F163-V173 WeakPolarHBondContact O-CA 3.3Å; F163-C174 HydrophobicContact CB-CB 4.32Å; F163-C174 PolarHBondContact N-O 3.08Å; F163-C174 PolarHBondContact O-N 3.37Å; F163-L176 HydrophobicContact CB-CD1 3.99Å; F163-L176 HydrophobicContact CB-CD2 4.06Å; F163-L176 HydrophobicContact CB-CG 4.2Å
164A89.4Confident85.1Confident0 Ų036.9 Ų36.90%017%0.172CC..EExtended strand (participates in β ladder)trans-115.1140.9179.100000110.3F154 C155 S172 V173 I196 V205F154-A164 CarbonylContact C-O 3.56Å; F154-A164 VanDerWaalsContact CA-O 3.22Å; F154-A164 WeakPolarHBondContact CA-O 3.38Å; F154-A164 WeakPolarHBondContact CB-O 3.46Å; C155-A164 PolarHBondContact N-O 3.18Å; C155-A164 PolarHBondContact O-N 2.83Å; A164-S172 CarbonylContact C-O 3.49Å; A164-S172 VanDerWaalsContact CA-O 3.29Å; A164-S172 WeakPolarHBondContact CA-O 3.5Å; A164-V173 HydrophobicContact CB-CG1 4.44Å; A164-V173 HydrophobicContact CB-CG2 3.97Å; A164-I196 HydrophobicContact CB-CD1 3.62Å; A164-V205 HydrophobicContact CB-CG1 4.16Å; A164-V205 HydrophobicContact CB-CG2 3.93Å
165Y90.9Very high84.8Confident5 Ų538.6 Ų38.62%0.0218%0.182CC..EExtended strand (participates in β ladder)trans-150.4148.6178.365.5-85.5000113V147 P148 R153 F163 T167 S172 Q182V147-Y165 HydrophobicContact CG1-CG 4.41Å; P148-Y165 HydrophobicContact CG-CD2 4.27Å; R153-Y165 CarbonylContact O-C 3.4Å; R153-Y165 WeakPolarHBondContact O-CA 3.42Å; F163-Y165 AromaticContact CD1-CD1 3.6Å; F163-Y165 HydrophobicContact CD1-CD1 3.6Å; F163-Y165 HydrophobicContact CD1-CE1 4.17Å; F163-Y165 AromaticContact CE1-CD1 3.33Å; F163-Y165 HydrophobicContact CE1-CD1 3.33Å; F163-Y165 HydrophobicContact CE1-CE1 4.05Å; F163-Y165 AromaticContact CE1-CG 3.94Å; F163-Y165 HydrophobicContact CE1-CG 3.94Å; F163-Y165 HydrophobicContact CZ-CD1 4.4Å; Y165-T167 HydrophobicContact CD2-CG2 3.8Å; Y165-T167 HydrophobicContact CE2-CG2 3.62Å; Y165-S172 VanDerWaalsContact CZ-CB 3.44Å; Y165-S172 PolarHBondContact N-O 3.39Å; Y165-S172 PolarHBondContact O-N 2.87Å; Y165-Q182 PolarHBondContact OH-NE2 3.29Å; Y165-Q182 PolarHBondContact OH-OE1 3.16Å
166I87.5Confident84.3Confident1 Ų139 Ų391%0.00518%0.183CC..EExtended strand (participates in β ladder)trans-102.2117.3-177.1-60.8164.5000109.5P148 R153 L171 L193 I196 T207P148-I166 WeakPolarHBondContact CG-O 3.44Å; R153-I166 HydrophobicContact CB-CB 4.22Å; R153-I166 PolarHBondContact O-N 2.94Å; I166-L171 HydrophobicContact CG1-CD1 4.08Å; I166-L193 HydrophobicContact CD1-CB 3.81Å; I166-L193 HydrophobicContact CD1-CD1 4.45Å; I166-L193 HydrophobicContact CG1-CB 4.39Å; I166-L193 HydrophobicContact CG1-CD1 4.42Å; I166-L193 HydrophobicContact CG2-CB 3.8Å; I166-L193 HydrophobicContact CG2-CD1 4.39Å; I166-I196 HydrophobicContact CD1-CB 3.7Å; I166-I196 HydrophobicContact CD1-CD1 4.47Å; I166-I196 HydrophobicContact CD1-CG1 4.46Å; I166-I196 HydrophobicContact CD1-CG2 4.35Å; I166-I196 HydrophobicContact CG1-CB 4.26Å; I166-I196 HydrophobicContact CG1-CD1 4.14Å; I166-T207 HydrophobicContact CD1-CG2 4.23Å
167T84Confident83.8Confident35 Ų3541.5 Ų41.522%0.21520%0.2CC..  trans-99.8168.1166.266.70000110.1Y165 K169 S170Y165-T167 HydrophobicContact CD2-CG2 3.8Å; Y165-T167 HydrophobicContact CE2-CG2 3.62Å; T167-K169 PolarHBondContact O-N 2.81Å; T167-K169 PolarHBondContact OG1-N 2.9Å; T167-S170 PolarHBondContact N-O 2.84Å; T167-S170 PolarHBondContact O-N 3.44Å; T167-S170 PolarHBondContact OG1-N 2.78Å; T167-S170 VanDerWaalsContact OG1-N 3.09Å; T167-S170 PolarHBondContact OG1-O 2.89Å; T167-S170 PolarHBondContact OG1-OG 3.18Å
168Q77.1Confident82.8Confident141 Ų14146.9 Ų46.966%0.65923%0.229SC*.SBendtrans-53.9-23174.4-70.9-178.7-10.700113.9I191Q168-I191 PolarHBondContact O-N 3.25Å
169K77Confident81.5Confident174 Ų17447.7 Ų47.776%0.75725%0.254SS*.SBendtrans-112.2-21.1-172.5-61.8-175.6-179.6179.80114.4T167T167-K169 PolarHBondContact O-N 2.81Å; T167-K169 PolarHBondContact OG1-N 2.9Å
170S82.8Confident80.2Confident13 Ų1342.2 Ų42.29%0.09124%0.242CC..EExtended strand (participates in β ladder)trans-163.1153.1-174.762.90000113.2T167T167-S170 PolarHBondContact N-O 2.84Å; T167-S170 PolarHBondContact O-N 3.44Å; T167-S170 PolarHBondContact OG1-N 2.78Å; T167-S170 VanDerWaalsContact OG1-N 3.09Å; T167-S170 PolarHBondContact OG1-O 2.89Å; T167-S170 PolarHBondContact OG1-OG 3.18Å
171L84.7Confident79.1Confident1 Ų145.5 Ų45.51%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-81.9123.5158.217464.4000108.1I166 H185 I196 T207 W217I166-L171 HydrophobicContact CG1-CD1 4.08Å; L171-H185 PolarHBondContact N-O 3Å; L171-H185 PolarHBondContact O-N 2.98Å; L171-I196 HydrophobicContact CD1-CD1 3.53Å; L171-T207 HydrophobicContact CD1-CG2 4.33Å; L171-T207 HydrophobicContact CD2-CG2 4.27Å; L171-W217 HydrophobicContact CD2-CD2 3.77Å; L171-W217 HydrophobicContact CD2-CE3 4.28Å; L171-W217 HydrophobicContact CD2-CG 3.94Å; L171-W217 HydrophobicContact CD2-CZ2 4.27Å
172S86.4Confident78.2Confident1 Ų146 Ų461%0.00727%0.269CS..EExtended strand (participates in β ladder)trans-113.3133.9178.1-540000109.4A164 Y165A164-S172 CarbonylContact C-O 3.49Å; A164-S172 VanDerWaalsContact CA-O 3.29Å; A164-S172 WeakPolarHBondContact CA-O 3.5Å; Y165-S172 VanDerWaalsContact CZ-CB 3.44Å; Y165-S172 PolarHBondContact N-O 3.39Å; Y165-S172 PolarHBondContact O-N 2.87Å
173V84.8Confident77.3Confident5 Ų549 Ų493%0.0329%0.287CS..EExtended strand (participates in β ladder)trans-122.2122.3174.1-172.10000109.5C162 F163 A164 V183 V219C162-V173 HydrophobicContact CB-CG1 4.31Å; F163-V173 CarbonylContact O-C 3.57Å; F163-V173 WeakPolarHBondContact O-CA 3.3Å; A164-V173 HydrophobicContact CB-CG1 4.44Å; A164-V173 HydrophobicContact CB-CG2 3.97Å; V173-V183 PolarHBondContact N-O 3.5Å; V173-V183 PolarHBondContact O-N 3.12Å; V173-V219 HydrophobicContact CB-CG1 4.37Å; V173-V219 HydrophobicContact CG1-CG1 3.61Å; V173-V219 HydrophobicContact CG1-CG2 4.17Å
174C83.3Confident76.2Confident6 Ų654.9 Ų54.94%0.04131%0.312CS..EExtended strand (participates in β ladder)trans-100.6127.8175.7-56.10000109.1C162 F163 Q182C162-C174 CarbonylContact C-O 3.51Å; C162-C174 WeakPolarHBondContact CA-O 3.26Å; F163-C174 HydrophobicContact CB-CB 4.32Å; F163-C174 PolarHBondContact N-O 3.08Å; F163-C174 PolarHBondContact O-N 3.37Å; C174-Q182 PolarHBondContact SG-NE2 3.27Å
175N82.9Confident75.3Confident52 Ų5257 Ų5728%0.27832%0.322SS..EExtended strand (participates in β ladder)trans-81.1124.8162.2-173.3-5.1000108.8N161 T177 D178N161-N175 PolarHBondContact O-OD1 3.27Å; N175-T177 PolarHBondContact OD1-N 3.44Å; N175-T177 VanDerWaalsContact OD1-N 3.07Å; N175-T177 PolarHBondContact OD1-OG1 2.85Å; N175-D178 PolarHBondContact ND2-OD2 3.21Å
176L81.3Confident73.9Confident23 Ų2362.2 Ų62.212%0.1236%0.357CS..SBendtrans-90.5-15.2-174.5-62.3174.7000112.9Y115 L127 V143 F156 N160 N161 F163Y115-L176 HydrophobicContact CD1-CD2 4.29Å; Y115-L176 HydrophobicContact CD2-CD1 4.01Å; Y115-L176 HydrophobicContact CE1-CD1 4.26Å; Y115-L176 HydrophobicContact CE1-CD2 3.75Å; Y115-L176 HydrophobicContact CE1-CG 4.42Å; Y115-L176 HydrophobicContact CE2-CB 4.45Å; Y115-L176 HydrophobicContact CE2-CD1 3.63Å; Y115-L176 HydrophobicContact CE2-CG 4.44Å; Y115-L176 HydrophobicContact CG-CD1 4.48Å; L127-L176 HydrophobicContact CD2-CD2 4.35Å; V143-L176 HydrophobicContact CG1-CD2 3.64Å; F156-L176 HydrophobicContact CD1-CD1 4.14Å; F156-L176 HydrophobicContact CE1-CD1 4.23Å; N160-L176 WeakPolarHBondContact O-CD1 3.15Å; N161-L176 WeakPolarHBondContact O-CB 3.24Å; N161-L176 PolarHBondContact O-N 3.39Å; F163-L176 HydrophobicContact CB-CD1 3.99Å; F163-L176 HydrophobicContact CB-CD2 4.06Å; F163-L176 HydrophobicContact CB-CG 4.2Å
177T75.8Confident72.8Confident78 Ų7864.6 Ų64.648%0.47937%0.366SS..SBendtrans-86.2-38.5-179.760.70000112.8N161 N175N161-T177 HydrophobicContact CB-CG2 3.86Å; N161-T177 WeakPolarHBondContact OD1-CG2 3.34Å; N175-T177 PolarHBondContact OD1-N 3.44Å; N175-T177 VanDerWaalsContact OD1-N 3.07Å; N175-T177 PolarHBondContact OD1-OG1 2.85Å
178D65Low71.8Confident113 Ų11372.9 Ų72.960%0.60440%0.399SS*.SBendtrans-1011.3-162.6-66.1-3.7000113.7N175 S180N175-D178 PolarHBondContact ND2-OD2 3.21Å; D178-S180 PolarHBondContact O-N 3.16Å
179G56.6Low71.4Confident80 Ų8070.1 Ų70.183%0.82539%0.389SS*.  trans57.47.3-171.900000113.8
180S53.6Low71.1Confident56 Ų5661.9 Ų61.939%0.39235%0.353SS..PPolyproline II helixtrans-74.6146.7-173.154.40000111.5D178D178-S180 PolarHBondContact O-N 3.16Å
181S58.8Low70.8Confident109 Ų10966.6 Ų66.676%0.76238%0.376SS*.PPolyproline II helixtrans-52.2143.1-173.6-54.10000113.9V183S181-V183 PolarHBondContact O-N 3.48Å
182Q65.8Low70.7Confident65 Ų6569 Ų6930%0.30439%0.389SS..PPolyproline II helixtrans-50.4124.2173.8-60.4-170.5-3100111.3Y165 C174 K184Y165-Q182 PolarHBondContact OH-NE2 3.29Å; Y165-Q182 PolarHBondContact OH-OE1 3.16Å; C174-Q182 PolarHBondContact SG-NE2 3.27Å; Q182-K184 PolarHBondContact O-N 2.91Å
183V66.8Low70.6Confident70 Ų7069 Ų6942%0.42439%0.389SS..EExtended strand (participates in β ladder)trans-82.3105.4167.9-176.20000106.9V173 S181V173-V183 PolarHBondContact N-O 3.5Å; V173-V183 PolarHBondContact O-N 3.12Å; S181-V183 PolarHBondContact O-N 3.48Å
184K66.7Low70.7Confident124 Ų12469.9 Ų69.954%0.53939%0.394SS..EExtended strand (participates in β ladder)trans-88.2120.6171.7-67.4-173.2179.1179.50108.3Q182 P186Q182-K184 PolarHBondContact O-N 2.91Å; K184-P186 WeakPolarHBondContact O-CD 3.35Å
185H68.5Low70.9Confident44 Ų4469.6 Ų69.620%0.20439%0.393CS..EExtended strand (participates in β ladder)trans-94.195166.1-64.1-69.8000107.6L171 Y187L171-H185 PolarHBondContact N-O 3Å; L171-H185 PolarHBondContact O-N 2.98Å; H185-Y187 PolarHBondContact O-N 2.81Å; H185-Y187 VanDerWaalsContact O-N 3.11Å
186P61.6Low71.2Confident115 Ų11567.7 Ų67.775%0.74738%0.382SS*.EExtended strand (participates in β ladder)trans-60.6118.9171.624.2-31.5000108.3K184K184-P186 WeakPolarHBondContact O-CD 3.35Å
187Y66Low71.6Confident51 Ų5167 Ų6720%0.238%0.379CS..  trans-120.1118178.1-172.6-113000106.7H185 D189 A190 L193 L215 W217H185-Y187 PolarHBondContact O-N 2.81Å; H185-Y187 VanDerWaalsContact O-N 3.11Å; Y187-D189 VanDerWaalsContact CD1-C 3.49Å; Y187-D189 HydrophobicContact CD1-CB 4.29Å; Y187-D189 HydrophobicContact CE1-CB 3.84Å; Y187-D189 PolarHBondContact O-N 2.86Å; Y187-A190 HydrophobicContact CD1-CB 4.46Å; Y187-A190 VanDerWaalsContact O-CB 3.31Å; Y187-A190 WeakPolarHBondContact O-CB 3.46Å; Y187-A190 PolarHBondContact O-N 2.91Å; Y187-L193 HydrophobicContact CD1-CD1 4.22Å; Y187-L193 HydrophobicContact CD1-CG 4.46Å; Y187-L193 HydrophobicContact CE1-CD2 4.48Å; Y187-L215 HydrophobicContact CE1-CD1 4.24Å; Y187-L215 HydrophobicContact CE2-CD1 4.26Å; Y187-L215 WeakPolarHBondContact OH-CD1 3.23Å; Y187-W217 AromaticContact CD2-CH2 3.74Å; Y187-W217 HydrophobicContact CD2-CH2 3.74Å; Y187-W217 HydrophobicContact CD2-CZ2 4.4Å; Y187-W217 HydrophobicContact CE2-CH2 4.1Å; Y187-W217 HydrophobicContact CG-CH2 4.25Å
188K62.1Low72.1Confident209 Ų20963.9 Ų63.991%0.90936%0.363SS*.THydrogen-bonded Turntrans-53.2-32.6-173.9-90.1-174.8173-177.90112.3
189D69.9Low73Confident83 Ų8359 Ų5944%0.44434%0.336SS..THydrogen-bonded Turntrans-109.428.3-178.1-52.8-46.7000112.3Y187 I191 N192Y187-D189 VanDerWaalsContact CD1-C 3.49Å; Y187-D189 HydrophobicContact CD1-CB 4.29Å; Y187-D189 HydrophobicContact CE1-CB 3.84Å; Y187-D189 PolarHBondContact O-N 2.86Å; D189-I191 PolarHBondContact O-N 3.33Å; D189-I191 VanDerWaalsContact O-N 3.09Å; D189-N192 WeakPolarHBondContact O-CB 3.27Å; D189-N192 PolarHBondContact O-N 2.85Å
190A70.7Confident74.2Confident2 Ų256.4 Ų56.42%0.01731%0.305CS..G310 helixtrans-56.5-27.6178.600000112.7Y187 N192 L193Y187-A190 HydrophobicContact CD1-CB 4.46Å; Y187-A190 VanDerWaalsContact O-CB 3.31Å; Y187-A190 WeakPolarHBondContact O-CB 3.46Å; Y187-A190 PolarHBondContact O-N 2.91Å; A190-N192 PolarHBondContact O-N 2.82Å; A190-L193 PolarHBondContact O-N 2.83Å; A190-L193 VanDerWaalsContact O-N 3.11Å
191I75.6Confident75.5Confident112 Ų11256.4 Ų56.457%0.57430%0.301SS*.G310 helixtrans-59.5-25.1175.3-162.8164.8000113.2Q168 D189Q168-I191 PolarHBondContact O-N 3.25Å; D189-I191 PolarHBondContact O-N 3.33Å; D189-I191 VanDerWaalsContact O-N 3.09Å
192N83.1Confident76.5Confident50 Ų5056 Ų5627%0.26729%0.287SS..G310 helixtrans-87.1-13-179.7-66.7-19.8000112.7D189 A190 V194 D209 V210D189-N192 WeakPolarHBondContact O-CB 3.27Å; D189-N192 PolarHBondContact O-N 2.85Å; A190-N192 PolarHBondContact O-N 2.82Å; N192-V194 PolarHBondContact O-N 2.86Å; N192-D209 HydrophobicContact CB-CB 4.32Å; N192-D209 CarbonylContact O-C 3.55Å; N192-D209 WeakPolarHBondContact O-CA 3.18Å; N192-D209 WeakPolarHBondContact O-CB 3.27Å; N192-V210 HydrophobicContact CB-CG2 3.98Å; N192-V210 PolarHBondContact O-N 2.93Å
193L84.3Confident77.1Confident1 Ų155.2 Ų55.21%0.00529%0.287CS..EExtended strand (participates in β ladder)trans-74.2125.9179.9-61.6178.2000110.5I166 Y187 A190 T207 G208 D209 L215I166-L193 HydrophobicContact CD1-CB 3.81Å; I166-L193 HydrophobicContact CD1-CD1 4.45Å; I166-L193 HydrophobicContact CG1-CB 4.39Å; I166-L193 HydrophobicContact CG1-CD1 4.42Å; I166-L193 HydrophobicContact CG2-CB 3.8Å; I166-L193 HydrophobicContact CG2-CD1 4.39Å; Y187-L193 HydrophobicContact CD1-CD1 4.22Å; Y187-L193 HydrophobicContact CD1-CG 4.46Å; Y187-L193 HydrophobicContact CE1-CD2 4.48Å; A190-L193 PolarHBondContact O-N 2.83Å; A190-L193 VanDerWaalsContact O-N 3.11Å; L193-T207 HydrophobicContact CD1-CG2 4.35Å; L193-G208 CarbonylContact C-O 3.46Å; L193-G208 WeakPolarHBondContact CA-O 3.27Å; L193-D209 HydrophobicContact CD2-CB 4.03Å; L193-L215 HydrophobicContact CD2-CD1 4.46Å
194V86Confident77.9Confident24 Ų2452.5 Ų52.515%0.14527%0.271CS..EExtended strand (participates in β ladder)trans-110.9-34.5-174.6-72.90000113.2N192 G208 V210 Q233N192-V194 PolarHBondContact O-N 2.86Å; V194-G208 WeakPolarHBondContact CG2-O 3.4Å; V194-G208 PolarHBondContact N-O 3.16Å; V194-V210 HydrophobicContact CG1-CB 4.46Å; V194-V210 HydrophobicContact CG1-CG1 3.41Å; V194-V210 VanDerWaalsContact CG1-CG1 3.41Å; V194-Q233 WeakPolarHBondContact CG2-O 3.26Å
195C88.7Confident78.7Confident1 Ų146.6 Ų46.61%0.00725%0.246CC..EExtended strand (participates in β ladder)trans-133.4150.8-178.265.60000112.4K152 T207 G208K152-C195 CarbonylContact O-C 3.6Å; K152-C195 WeakPolarHBondContact O-CA 3.32Å; C195-T207 CarbonylContact O-C 3.46Å; C195-T207 VanDerWaalsContact O-CA 3.23Å; C195-T207 WeakPolarHBondContact O-CA 3.12Å; C195-G208 PolarHBondContact N-O 2.83Å; C195-G208 PolarHBondContact O-N 3.23Å; C195-G208 VanDerWaalsContact SG-CA 3.58Å
196I89.1Confident79.6Confident12 Ų1244.7 Ų44.76%0.06224%0.238CC..EExtended strand (participates in β ladder)trans-137.2147.2175.8-166.2174.8000110.9K152 F154 C155 A164 I166 L171 V205 A206 T207K152-I196 WeakPolarHBondContact O-CG2 3.3Å; K152-I196 PolarHBondContact O-N 2.67Å; F154-I196 VanDerWaalsContact C-CG2 3.4Å; F154-I196 VanDerWaalsContact CA-CG2 3.44Å; F154-I196 VanDerWaalsContact N-CG2 3.28Å; C155-I196 HydrophobicContact CB-CG2 4.12Å; A164-I196 HydrophobicContact CB-CD1 3.62Å; I166-I196 HydrophobicContact CD1-CB 3.7Å; I166-I196 HydrophobicContact CD1-CD1 4.47Å; I166-I196 HydrophobicContact CD1-CG1 4.46Å; I166-I196 HydrophobicContact CD1-CG2 4.35Å; I166-I196 HydrophobicContact CG1-CB 4.26Å; I166-I196 HydrophobicContact CG1-CD1 4.14Å; L171-I196 HydrophobicContact CD1-CD1 3.53Å; I196-V205 HydrophobicContact CD1-CG1 3.6Å; I196-V205 HydrophobicContact CG1-CG1 3.46Å; I196-V205 VanDerWaalsContact CG1-CG1 3.46Å; I196-A206 CarbonylContact C-O 3.53Å; I196-A206 VanDerWaalsContact CA-O 3.29Å; I196-A206 WeakPolarHBondContact CA-O 3.38Å; I196-T207 HydrophobicContact CB-CG2 4.34Å; I196-T207 HydrophobicContact CD1-CG2 4.26Å; I196-T207 HydrophobicContact CG1-CG2 3.87Å
197A88.8Confident80.9Confident7 Ų739.2 Ų39.26%0.05820%0.202CC..EExtended strand (participates in β ladder)trans-146.3140.3175.400000111.8V205 A206 L236 P238A197-V205 CarbonylContact O-C 3.52Å; A197-V205 WeakPolarHBondContact O-CA 3.44Å; A197-A206 PolarHBondContact N-O 2.57Å; A197-A206 PolarHBondContact O-N 2.86Å; A197-L236 HydrophobicContact CB-CB 3.7Å; A197-L236 WeakPolarHBondContact CB-O 3.48Å; A197-P238 HydrophobicContact CB-CG 4.26Å
198G86.1Confident81.8Confident13 Ų1336.8 Ų36.813%0.13419%0.192CC..EExtended strand (participates in β ladder)trans-102.5138.3-178.300000111.4C155 F156 P238C155-G198 PolarHBondContact SG-N 3.06Å; F156-G198 WeakPolarHBondContact O-CA 3.32Å; G198-P238 WeakPolarHBondContact O-CG 3.28Å
199H84.9Confident82.9Confident10 Ų1027.6 Ų27.65%0.04615%0.153CC..  trans-71.1131.5172.4-172-55.5000108.9A157 H158 N201 Q202 V204 P238A157-H199 WeakPolarHBondContact CA-O 3.47Å; H158-H199 PolarHBondContact N-O 3.19Å; H199-N201 PolarHBondContact ND1-N 2.88Å; H199-N201 PolarHBondContact O-N 3.42Å; H199-Q202 HydrophobicContact CB-CB 4.32Å; H199-Q202 PolarHBondContact ND1-N 2.82Å; H199-Q202 VanDerWaalsContact ND1-N 3.12Å; H199-V204 HydrophobicContact CB-CB 3.8Å; H199-V204 HydrophobicContact CB-CG1 4.45Å; H199-V204 WeakPolarHBondContact CB-O 3.45Å; H199-V204 PolarHBondContact N-O 3.26Å; H199-P238 HydrophobicContact CB-CB 4.34Å; H199-P238 HydrophobicContact CB-CG 4.49Å
200P82.1Confident83.5Confident27 Ų2725.9 Ų25.918%0.17515%0.146CC..SBendtrans-63.3-39.9-173.720.7-33.4000113.2R159 E240R159-P200 WeakPolarHBondContact CA-O 3.3Å; R159-P200 PolarHBondContact N-O 2.9Å; P200-E240 HydrophobicContact CB-CG 3.42Å; P200-E240 VanDerWaalsContact CB-CG 3.42Å; P200-E240 HydrophobicContact CG-CB 4.09Å; P200-E240 HydrophobicContact CG-CG 3.22Å
201N79.7Confident83.9Confident56 Ų5629.8 Ų29.830%0.29917%0.166SC..SBendtrans-105.5-25.7-179.5-74.7-56.2000116.5H158 R159 H199H158-N201 PolarHBondContact ND1-O 2.82Å; R159-N201 PolarHBondContact NE-OD1 2.84Å; H199-N201 PolarHBondContact ND1-N 2.88Å; H199-N201 PolarHBondContact O-N 3.42Å
202Q79.7Confident83.9Confident99 Ų9924.4 Ų24.446%0.46314%0.139SC..SBendtrans-104153.7-174.9-62.6-173.52.400110.9H158 H199 V204H158-Q202 PolarHBondContact N-O 2.84Å; H199-Q202 HydrophobicContact CB-CB 4.32Å; H199-Q202 PolarHBondContact ND1-N 2.82Å; H199-Q202 VanDerWaalsContact ND1-N 3.12Å; Q202-V204 HydrophobicContact CB-CB 4.36Å; Q202-V204 HydrophobicContact CB-CG2 3.89Å; Q202-V204 PolarHBondContact O-N 3.1Å
203P79.1Confident83.9Confident49 Ų4923.3 Ų23.332%0.31813%0.134SC..SBendtrans-75.360.7171.234.8-36.4000110H158 L218 V219H158-P203 HydrophobicContact CB-CB 4.3Å; P203-L218 WeakPolarHBondContact O-CA 3.37Å; P203-V219 HydrophobicContact CB-CB 4.01Å; P203-V219 HydrophobicContact CB-CG2 3.96Å; P203-V219 WeakPolarHBondContact O-CG2 3.23Å; P203-V219 PolarHBondContact O-N 2.81Å
204V82.3Confident83.7Confident13 Ų1323.4 Ų23.48%0.07913%0.134CC..EExtended strand (participates in β ladder)trans-125.3137.2-178.81770000108.7H199 Q202 I216 W217 L218H199-V204 HydrophobicContact CB-CB 3.8Å; H199-V204 HydrophobicContact CB-CG1 4.45Å; H199-V204 WeakPolarHBondContact CB-O 3.45Å; H199-V204 PolarHBondContact N-O 3.26Å; Q202-V204 HydrophobicContact CB-CB 4.36Å; Q202-V204 HydrophobicContact CB-CG2 3.89Å; Q202-V204 PolarHBondContact O-N 3.1Å; V204-I216 HydrophobicContact CG1-CG2 3.44Å; V204-I216 VanDerWaalsContact CG1-CG2 3.44Å; V204-W217 CarbonylContact C-O 3.6Å; V204-W217 VanDerWaalsContact CA-O 3.24Å; V204-W217 WeakPolarHBondContact CA-O 3.25Å; V204-L218 HydrophobicContact CG2-CD1 3.84Å; V204-L218 HydrophobicContact CG2-CG 4.06Å
205V85.1Confident83.5Confident1 Ų122.5 Ų22.51%0.00613%0.128CC..EExtended strand (participates in β ladder)trans-129.1137.1177.2175.40000107.8A157 A164 I196 A197 T207 W217 V219A157-V205 HydrophobicContact CB-CG2 4.22Å; A164-V205 HydrophobicContact CB-CG1 4.16Å; A164-V205 HydrophobicContact CB-CG2 3.93Å; I196-V205 HydrophobicContact CD1-CG1 3.6Å; I196-V205 HydrophobicContact CG1-CG1 3.46Å; I196-V205 VanDerWaalsContact CG1-CG1 3.46Å; A197-V205 CarbonylContact O-C 3.52Å; A197-V205 WeakPolarHBondContact O-CA 3.44Å; V205-T207 HydrophobicContact CG1-CG2 4.48Å; V205-W217 HydrophobicContact CB-CB 4.34Å; V205-W217 PolarHBondContact N-O 2.89Å; V205-W217 WeakPolarHBondContact O-CB 3.18Å; V205-W217 VanDerWaalsContact O-CD1 3.31Å; V205-W217 PolarHBondContact O-N 2.84Å; V205-V219 HydrophobicContact CG2-CG2 4.22Å
206A87.1Confident83.1Confident4 Ų423.2 Ų23.23%0.03313%0.132CC..EExtended strand (participates in β ladder)trans-109.8140.5172.400000109.7I196 A197 L215 L236 L245I196-A206 CarbonylContact C-O 3.53Å; I196-A206 VanDerWaalsContact CA-O 3.29Å; I196-A206 WeakPolarHBondContact CA-O 3.38Å; A197-A206 PolarHBondContact N-O 2.57Å; A197-A206 PolarHBondContact O-N 2.86Å; A206-L215 CarbonylContact C-O 3.51Å; A206-L215 VanDerWaalsContact CA-O 3.25Å; A206-L215 WeakPolarHBondContact CA-O 3.33Å; A206-L236 HydrophobicContact CB-CD1 4.11Å; A206-L245 HydrophobicContact CB-CD1 4.16Å; A206-L245 HydrophobicContact CB-CD2 4.26Å
207T87.5Confident82.6Confident0 Ų023.2 Ų23.20%013%0.131CC..EExtended strand (participates in β ladder)trans-129.6138.2174.860.20000110.5I166 L171 L193 C195 I196 V205 I214 L215 W217I166-T207 HydrophobicContact CD1-CG2 4.23Å; L171-T207 HydrophobicContact CD1-CG2 4.33Å; L171-T207 HydrophobicContact CD2-CG2 4.27Å; L193-T207 HydrophobicContact CD1-CG2 4.35Å; C195-T207 CarbonylContact O-C 3.46Å; C195-T207 VanDerWaalsContact O-CA 3.23Å; C195-T207 WeakPolarHBondContact O-CA 3.12Å; I196-T207 HydrophobicContact CB-CG2 4.34Å; I196-T207 HydrophobicContact CD1-CG2 4.26Å; I196-T207 HydrophobicContact CG1-CG2 3.87Å; V205-T207 HydrophobicContact CG1-CG2 4.48Å; T207-I214 WeakPolarHBondContact O-CA 3.31Å; T207-L215 PolarHBondContact N-O 2.88Å; T207-L215 PolarHBondContact O-N 2.82Å; T207-W217 PolarHBondContact OG1-NE1 2.81Å
208G86.6Confident81.9Confident0 Ų026 Ų260%015%0.145CC..EExtended strand (participates in β ladder)trans-106.1146.1171.600000111.4L193 V194 C195 V213L193-G208 CarbonylContact C-O 3.46Å; L193-G208 WeakPolarHBondContact CA-O 3.27Å; V194-G208 WeakPolarHBondContact CG2-O 3.4Å; V194-G208 PolarHBondContact N-O 3.16Å; C195-G208 PolarHBondContact N-O 2.83Å; C195-G208 PolarHBondContact O-N 3.23Å; C195-G208 VanDerWaalsContact SG-CA 3.58Å; G208-V213 WeakPolarHBondContact CA-O 3.35Å
209D85Confident80.9Confident15 Ų1526.8 Ų26.88%0.0815%0.147CC..EExtended strand (participates in β ladder)trans-107.7169.2175.685.8-0.1000113.6N192 L193 N211 G212 V213N192-D209 HydrophobicContact CB-CB 4.32Å; N192-D209 CarbonylContact O-C 3.55Å; N192-D209 WeakPolarHBondContact O-CA 3.18Å; N192-D209 WeakPolarHBondContact O-CB 3.27Å; L193-D209 HydrophobicContact CD2-CB 4.03Å; D209-N211 PolarHBondContact O-N 3Å; D209-N211 VanDerWaalsContact OD1-C 3.31Å; D209-N211 WeakPolarHBondContact OD1-CA 3.49Å; D209-N211 WeakPolarHBondContact OD1-CB 3.38Å; D209-N211 PolarHBondContact OD1-N 2.82Å; D209-G212 WeakPolarHBondContact O-CA 3.3Å; D209-G212 PolarHBondContact O-N 2.9Å; D209-G212 PolarHBondContact OD1-N 3.31Å; D209-V213 PolarHBondContact N-O 3.33Å; D209-V213 PolarHBondContact OD1-N 3.12Å
210V81.8Confident79.4Confident48 Ų4830.5 Ų30.529%0.29118%0.179SC..THydrogen-bonded Turntrans-59.9-24179-66.80000113.9N192 V194 G212 Q233N192-V210 HydrophobicContact CB-CG2 3.98Å; N192-V210 PolarHBondContact O-N 2.93Å; V194-V210 HydrophobicContact CG1-CB 4.46Å; V194-V210 HydrophobicContact CG1-CG1 3.41Å; V194-V210 VanDerWaalsContact CG1-CG1 3.41Å; V210-G212 VanDerWaalsContact C-N 3.33Å; V210-Q233 PolarHBondContact O-NE2 3.15Å
211N78.4Confident77.9Confident83 Ų8333.4 Ų33.444%0.44420%0.196SC..THydrogen-bonded Turntrans-88.1-10178.6-56.4-53.2000111.7D209 F230 R387D209-N211 PolarHBondContact O-N 3Å; D209-N211 VanDerWaalsContact OD1-C 3.31Å; D209-N211 WeakPolarHBondContact OD1-CA 3.49Å; D209-N211 WeakPolarHBondContact OD1-CB 3.38Å; D209-N211 PolarHBondContact OD1-N 2.82Å; N211-F230 CarbonylContact O-C 3.37Å; N211-R387 PolarHBondContact O-NH2 2.77Å
212G76.9Confident76.3Confident0 Ų035.8 Ų35.80%020%0.204CC..  trans83.724.4-179.600000116.1D209 V210 F230 H232D209-G212 WeakPolarHBondContact O-CA 3.3Å; D209-G212 PolarHBondContact O-N 2.9Å; D209-G212 PolarHBondContact OD1-N 3.31Å; V210-G212 VanDerWaalsContact C-N 3.33Å; G212-F230 WeakPolarHBondContact CA-O 3.25Å; G212-H232 PolarHBondContact O-CD2 2.81Å
213V81.7Confident74.8Confident27 Ų2734.2 Ų34.216%0.16420%0.198CC..  trans-76.2133.9166.2-177.80000108.8G208 D209 L215G208-V213 WeakPolarHBondContact CA-O 3.35Å; D209-V213 PolarHBondContact N-O 3.33Å; D209-V213 PolarHBondContact OD1-N 3.12Å; V213-L215 HydrophobicContact CG1-CD2 3.92Å; V213-L215 HydrophobicContact CG1-CG 4.29Å
214I82Confident73.4Confident2 Ų237.6 Ų37.61%0.0121%0.209CC..EExtended strand (participates in β ladder)trans-107.4120.9174.1-59.9169.8000108.4T207 F226 L236 L245 W257T207-I214 WeakPolarHBondContact O-CA 3.31Å; I214-F226 PolarHBondContact N-O 3.31Å; I214-F226 PolarHBondContact O-N 3.03Å; I214-F226 VanDerWaalsContact O-N 3.09Å; I214-F226 VanDerWaalsContact O-O 3.06Å; I214-L236 HydrophobicContact CD1-CD2 3.72Å; I214-L236 HydrophobicContact CG1-CD2 4.06Å; I214-L236 HydrophobicContact CG2-CD1 4.04Å; I214-L236 HydrophobicContact CG2-CD2 4.12Å; I214-L245 HydrophobicContact CG2-CD2 3.84Å; I214-W257 HydrophobicContact CD1-CZ2 3.8Å
215L81.5Confident71.7Confident5 Ų541.7 Ų41.73%0.02623%0.23CC..EExtended strand (participates in β ladder)trans-107.7137.6178-57.6173.8000110Y187 L193 A206 T207 V213 W217 I225Y187-L215 HydrophobicContact CE1-CD1 4.24Å; Y187-L215 HydrophobicContact CE2-CD1 4.26Å; Y187-L215 WeakPolarHBondContact OH-CD1 3.23Å; L193-L215 HydrophobicContact CD2-CD1 4.46Å; A206-L215 CarbonylContact C-O 3.51Å; A206-L215 VanDerWaalsContact CA-O 3.25Å; A206-L215 WeakPolarHBondContact CA-O 3.33Å; T207-L215 PolarHBondContact N-O 2.88Å; T207-L215 PolarHBondContact O-N 2.82Å; V213-L215 HydrophobicContact CG1-CD2 3.92Å; V213-L215 HydrophobicContact CG1-CG 4.29Å; L215-W217 HydrophobicContact CB-CZ2 4.17Å; L215-W217 HydrophobicContact CD1-CZ2 3.72Å; L215-I225 HydrophobicContact CD2-CB 4.2Å; L215-I225 HydrophobicContact CD2-CG1 3.99Å; L215-I225 HydrophobicContact CD2-CG2 3.83Å
216I80.4Confident70Confident16 Ų1643.1 Ų43.18%0.08224%0.236CC..EExtended strand (participates in β ladder)trans-111.9132.6174.5-55.6-170.3000109V204 I223 H224 F226 L245 L259V204-I216 HydrophobicContact CG1-CG2 3.44Å; V204-I216 VanDerWaalsContact CG1-CG2 3.44Å; I216-I223 CarbonylContact O-C 3.6Å; I216-I223 VanDerWaalsContact O-O 3.09Å; I216-H224 PolarHBondContact N-O 3.4Å; I216-F226 HydrophobicContact CD1-CD2 3.84Å; I216-F226 HydrophobicContact CD1-CE2 3.62Å; I216-F226 HydrophobicContact CG1-CD2 4.12Å; I216-F226 HydrophobicContact CG1-CE2 4.3Å; I216-L245 HydrophobicContact CD1-CD2 4.39Å; I216-L259 HydrophobicContact CD1-CD2 3.36Å
217W77.6Confident67.6Low13 Ų1348.7 Ų48.75%0.04927%0.265CS..EExtended strand (participates in β ladder)trans-120.6124.1-174.5-51.987.3000108.2L171 Y187 V204 V205 T207 L215 K222L171-W217 HydrophobicContact CD2-CD2 3.77Å; L171-W217 HydrophobicContact CD2-CE3 4.28Å; L171-W217 HydrophobicContact CD2-CG 3.94Å; L171-W217 HydrophobicContact CD2-CZ2 4.27Å; Y187-W217 AromaticContact CD2-CH2 3.74Å; Y187-W217 HydrophobicContact CD2-CH2 3.74Å; Y187-W217 HydrophobicContact CD2-CZ2 4.4Å; Y187-W217 HydrophobicContact CE2-CH2 4.1Å; Y187-W217 HydrophobicContact CG-CH2 4.25Å; V204-W217 CarbonylContact C-O 3.6Å; V204-W217 VanDerWaalsContact CA-O 3.24Å; V204-W217 WeakPolarHBondContact CA-O 3.25Å; V205-W217 HydrophobicContact CB-CB 4.34Å; V205-W217 PolarHBondContact N-O 2.89Å; V205-W217 WeakPolarHBondContact O-CB 3.18Å; V205-W217 VanDerWaalsContact O-CD1 3.31Å; V205-W217 PolarHBondContact O-N 2.84Å; T207-W217 PolarHBondContact OG1-NE1 2.81Å; L215-W217 HydrophobicContact CB-CZ2 4.17Å; L215-W217 HydrophobicContact CD1-CZ2 3.72Å; W217-K222 HydrophobicContact CE3-CB 4.41Å; W217-K222 HydrophobicContact CE3-CG 4.04Å; W217-K222 HydrophobicContact CZ3-CB 4.47Å; W217-K222 HydrophobicContact CZ3-CD 3.97Å; W217-K222 HydrophobicContact CZ3-CG 3.95Å
218L74.7Confident65.3Low66 Ų6649.7 Ų49.735%0.34627%0.27SS..EExtended strand (participates in β ladder)trans-81.6132.4157.7-109.790.9000107P203 V204 A220 V221 I223P203-L218 WeakPolarHBondContact O-CA 3.37Å; V204-L218 HydrophobicContact CG2-CD1 3.84Å; V204-L218 HydrophobicContact CG2-CG 4.06Å; L218-A220 PolarHBondContact O-N 2.81Å; L218-V221 CarbonylContact C-O 3.43Å; L218-V221 WeakPolarHBondContact CA-O 3.01Å; L218-V221 WeakPolarHBondContact CB-O 3.21Å; L218-V221 PolarHBondContact N-O 2.81Å; L218-V221 VanDerWaalsContact N-O 3.16Å; L218-V221 CarbonylContact O-C 3.47Å; L218-V221 PolarHBondContact O-N 3.12Å; L218-I223 HydrophobicContact CB-CD1 4.44Å; L218-I223 HydrophobicContact CD1-CD1 4.35Å; L218-I223 HydrophobicContact CD2-CD1 4.39Å
219V64.4Low63Low29 Ų2957.5 Ų57.518%0.17631%0.306CS..THydrogen-bonded Turntrans-55.6-20.4-174.5175.20000112.7V173 P203 V205V173-V219 HydrophobicContact CB-CG1 4.37Å; V173-V219 HydrophobicContact CG1-CG1 3.61Å; V173-V219 HydrophobicContact CG1-CG2 4.17Å; P203-V219 HydrophobicContact CB-CB 4.01Å; P203-V219 HydrophobicContact CB-CG2 3.96Å; P203-V219 WeakPolarHBondContact O-CG2 3.23Å; P203-V219 PolarHBondContact O-N 2.81Å; V205-V219 HydrophobicContact CG2-CG2 4.22Å
220A53.6Low60.8Low88 Ų8862.2 Ų62.273%0.72733%0.326SS*.THydrogen-bonded Turntrans-97.6-25.8174.600000115.3L218L218-A220 PolarHBondContact O-N 2.81Å
221V51Low58.7Low87 Ų8760.6 Ų60.653%0.52732%0.317SS..EExtended strand (participates in β ladder)trans-155.1139.3-173.3-171.50000110.1L218 I223L218-V221 CarbonylContact C-O 3.43Å; L218-V221 WeakPolarHBondContact CA-O 3.01Å; L218-V221 WeakPolarHBondContact CB-O 3.21Å; L218-V221 PolarHBondContact N-O 2.81Å; L218-V221 VanDerWaalsContact N-O 3.16Å; L218-V221 CarbonylContact O-C 3.47Å; L218-V221 PolarHBondContact O-N 3.12Å; V221-I223 HydrophobicContact CB-CD1 4.24Å; V221-I223 HydrophobicContact CB-CG1 4.12Å; V221-I223 HydrophobicContact CG1-CD1 4.41Å; V221-I223 HydrophobicContact CG1-CG1 4.04Å; V221-I223 PolarHBondContact O-N 2.88Å
222K45.7Very low57.3Low107 Ų10757.3 Ų57.347%0.46530%0.299SS..EExtended strand (participates in β ladder)trans-66.8117.1172.8-171.2-179-174.6-176.10109.7W217W217-K222 HydrophobicContact CE3-CB 4.41Å; W217-K222 HydrophobicContact CE3-CG 4.04Å; W217-K222 HydrophobicContact CZ3-CB 4.47Å; W217-K222 HydrophobicContact CZ3-CD 3.97Å; W217-K222 HydrophobicContact CZ3-CG 3.95Å
223I48.8Very low55.9Low65 Ų6560.7 Ų60.733%0.33331%0.314SS..EExtended strand (participates in β ladder)trans-141.8110.6178-42.7178.9000109.8I216 L218 V221I216-I223 CarbonylContact O-C 3.6Å; I216-I223 VanDerWaalsContact O-O 3.09Å; L218-I223 HydrophobicContact CB-CD1 4.44Å; L218-I223 HydrophobicContact CD1-CD1 4.35Å; L218-I223 HydrophobicContact CD2-CD1 4.39Å; V221-I223 HydrophobicContact CB-CD1 4.24Å; V221-I223 HydrophobicContact CB-CG1 4.12Å; V221-I223 HydrophobicContact CG1-CD1 4.41Å; V221-I223 HydrophobicContact CG1-CG1 4.04Å; V221-I223 PolarHBondContact O-N 2.88Å
224H49.1Very low54.6Low121 Ų12160.5 Ų60.556%0.5631%0.312SS*.EExtended strand (participates in β ladder)trans90.2126173.8-55.593.4000118.5I216 F226I216-H224 PolarHBondContact N-O 3.4Å; H224-F226 HydrophobicContact CB-CE2 4.33Å
225I45.8Very low53.3Low98 Ų9861.6 Ų61.650%0.50332%0.317SS..EExtended strand (participates in β ladder)trans-109119.1171.8-60.7174.2000106.3L215 N227L215-I225 HydrophobicContact CD2-CB 4.2Å; L215-I225 HydrophobicContact CD2-CG1 3.99Å; L215-I225 HydrophobicContact CD2-CG2 3.83Å; I225-N227 WeakPolarHBondContact CG2-OD1 3.27Å
226F50.5Low52Low31 Ų3161.6 Ų61.614%0.13632%0.317CS..EExtended strand (participates in β ladder)trans-97.1102166.3-73.9-84.7000107.8I214 I216 H224 Q228 W257 P262I214-F226 PolarHBondContact N-O 3.31Å; I214-F226 PolarHBondContact O-N 3.03Å; I214-F226 VanDerWaalsContact O-N 3.09Å; I214-F226 VanDerWaalsContact O-O 3.06Å; I216-F226 HydrophobicContact CD1-CD2 3.84Å; I216-F226 HydrophobicContact CD1-CE2 3.62Å; I216-F226 HydrophobicContact CG1-CD2 4.12Å; I216-F226 HydrophobicContact CG1-CE2 4.3Å; H224-F226 HydrophobicContact CB-CE2 4.33Å; F226-Q228 PolarHBondContact O-N 3.33Å; F226-W257 HydrophobicContact CB-CZ3 4.35Å; F226-W257 HydrophobicContact CD1-CE3 4.41Å; F226-W257 HydrophobicContact CD1-CZ3 4.28Å; F226-P262 HydrophobicContact CE1-CB 4.34Å; F226-P262 HydrophobicContact CZ-CB 4.23Å
227N36.6Very low50.9Low121 Ų12162.2 Ų62.265%0.64732%0.321SS*.  trans-77.2122.3173.1-84.9-1.3000109.2I225I225-N227 WeakPolarHBondContact CG2-OD1 3.27Å
228Q40.4Very low49.8Very low21 Ų2162.2 Ų62.210%0.09832%0.323CS..  trans-136137.7157.8-138.6-173.41.800108.3F226 F230 H232 W257 R268F226-Q228 PolarHBondContact O-N 3.33Å; Q228-F230 HydrophobicContact CG-CD2 3.75Å; Q228-F230 HydrophobicContact CG-CE2 4.3Å; Q228-F230 PolarHBondContact O-N 3.36Å; Q228-H232 PolarHBondContact OE1-NE2 3.42Å; Q228-W257 HydrophobicContact CB-CH2 4.25Å; Q228-W257 HydrophobicContact CG-CH2 4.38Å; Q228-W257 VanDerWaalsContact OE1-CH2 3.26Å; Q228-W257 VanDerWaalsContact OE1-CZ2 3.29Å; Q228-R268 VanDerWaalsContact CD-NH1 3.27Å
229E37.5Very low48.8Very low165 Ų16559.2 Ų59.277%0.77131%0.307SS*.  trans-85.518.2-176.7-64.6-176.4157.600113R387E229-R387 PolarHBondContact O-NH1 2.99Å; E229-R387 PolarHBondContact O-NH2 3.17Å
230F38.4Very low48.4Very low113 Ų11361 Ų6150%0.49631%0.314SS..SBendtrans-114128.3-175.8-61.4-71.3000111.1N211 G212 Q228 H232N211-F230 CarbonylContact O-C 3.37Å; G212-F230 WeakPolarHBondContact CA-O 3.25Å; Q228-F230 HydrophobicContact CG-CD2 3.75Å; Q228-F230 HydrophobicContact CG-CE2 4.3Å; Q228-F230 PolarHBondContact O-N 3.36Å; F230-H232 PolarHBondContact O-N 2.87Å
231P38.3Very low48.4Very low14 Ų1460.3 Ų60.39%0.09130%0.303CS..  trans-67.296.8-169.129-29.6000113Q233 R387P231-Q233 HydrophobicContact CB-CG 4.36Å; P231-Q233 PolarHBondContact O-N 3.2Å; P231-R387 VanDerWaalsContact CD-NH2 3.3Å
232H47.9Very low48.6Very low14 Ų1457.9 Ų57.97%0.06529%0.29CS..  trans-82.478.9167-63.1-58.1000109.8G212 Q228 F230G212-H232 PolarHBondContact O-CD2 2.81Å; Q228-H232 PolarHBondContact OE1-NE2 3.42Å; F230-H232 PolarHBondContact O-N 2.87Å
233Q47.1Very low49.9Very low71 Ų7154.1 Ų54.133%0.33228%0.277SS..  trans-80.7-12-175.8-74.3-164.5-6.400115V194 V210 P231 Q250V194-Q233 WeakPolarHBondContact CG2-O 3.26Å; V210-Q233 PolarHBondContact O-NE2 3.15Å; P231-Q233 HydrophobicContact CB-CG 4.36Å; P231-Q233 PolarHBondContact O-N 3.2Å; Q233-Q250 VanDerWaalsContact OE1-NE2 3.1Å
234E56Low51.4Low24 Ų2451.2 Ų51.211%0.11226%0.263CS..SBendtrans-117.4-42.6-155.2-59.8-146.7-153.100116.8K152 I278K152-E234 WeakPolarHBondContact CD-O 2.92Å; K152-E234 WeakPolarHBondContact CE-O 3.39Å; K152-E234 PolarHBondContact NZ-O 2.84Å; K152-E234 IonicContact NZ-OE2 2.76Å; K152-E234 PolarHBondContact NZ-OE2 2.71Å; E234-I278 WeakPolarHBondContact CB-O 3.44Å; E234-I278 VanDerWaalsContact OE2-O 3.11Å
235Q53.9Low53.1Low24 Ų2445.6 Ų45.611%0.11224%0.237CC..EExtended strand (participates in β ladder)trans-168.5157.2179.2-141.4-175.6-600117.1G248 R279 I281Q235-G248 PolarHBondContact N-O 2.91Å; Q235-G248 PolarHBondContact O-N 3.18Å; Q235-R279 PolarHBondContact OE1-O 2.86Å; Q235-I281 HydrophobicContact CB-CD1 4.37Å; Q235-I281 VanDerWaalsContact CD-N 3.34Å; Q235-I281 PolarHBondContact NE2-O 2.79Å; Q235-I281 VanDerWaalsContact NE2-O 3.08Å
236L53.5Low55.2Low5 Ų540.9 Ų40.93%0.02621%0.213CC..EExtended strand (participates in β ladder)trans-133.8141.5173.8-67.7170.7000109.5A197 A206 I214 L245 Y246 S247A197-L236 HydrophobicContact CB-CB 3.7Å; A197-L236 WeakPolarHBondContact CB-O 3.48Å; A206-L236 HydrophobicContact CB-CD1 4.11Å; I214-L236 HydrophobicContact CD1-CD2 3.72Å; I214-L236 HydrophobicContact CG1-CD2 4.06Å; I214-L236 HydrophobicContact CG2-CD1 4.04Å; I214-L236 HydrophobicContact CG2-CD2 4.12Å; L236-L245 HydrophobicContact CB-CD1 4.25Å; L236-L245 HydrophobicContact CD2-CD1 4.3Å; L236-L245 HydrophobicContact CD2-CD2 4.27Å; L236-L245 HydrophobicContact CD2-CG 4.36Å; L236-Y246 WeakPolarHBondContact CA-O 3.16Å; L236-S247 VanDerWaalsContact CD2-CB 3.5Å
237V57.7Low57.1Low29 Ų2939.4 Ų39.418%0.17621%0.207CC..EExtended strand (participates in β ladder)trans-145.8118.8169.3-172.30000110.8Y246 I281 I283V237-Y246 PolarHBondContact N-O 3.36Å; V237-Y246 PolarHBondContact O-N 2.9Å; V237-I281 HydrophobicContact CB-CG2 4.22Å; V237-I281 HydrophobicContact CG2-CB 3.91Å; V237-I281 HydrophobicContact CG2-CG2 3.97Å; V237-I281 VanDerWaalsContact CG2-O 3.3Å; V237-I281 WeakPolarHBondContact CG2-O 3.49Å; V237-I283 HydrophobicContact CB-CD1 3.88Å; V237-I283 HydrophobicContact CB-CG1 4.24Å; V237-I283 HydrophobicContact CG1-CB 4.39Å; V237-I283 HydrophobicContact CG1-CD1 3.6Å; V237-I283 HydrophobicContact CG1-CG1 3.82Å
238P54.4Low59.7Low14 Ų1433.7 Ų33.79%0.09118%0.176CC..EExtended strand (participates in β ladder)trans-75.5138.9169.9-15.530.4000111.3A197 G198 H199 L245A197-P238 HydrophobicContact CB-CG 4.26Å; G198-P238 WeakPolarHBondContact O-CG 3.28Å; H199-P238 HydrophobicContact CB-CB 4.34Å; H199-P238 HydrophobicContact CB-CG 4.49Å; P238-L245 HydrophobicContact CG-CD1 4.07Å
239K54.5Low61.8Low2 Ų232.8 Ų32.81%0.00917%0.172CC..  trans-93.4143.3176.4-177.3162.6-179.2-177.60112.3S241 S242 A244 Y246 I283 E288K239-S241 WeakPolarHBondContact CE-OG 3.14Å; K239-S242 WeakPolarHBondContact CD-OG 3.4Å; K239-A244 PolarHBondContact N-O 3.21Å; K239-Y246 HydrophobicContact CB-CE2 4.15Å; K239-Y246 HydrophobicContact CD-CE2 4.17Å; K239-I283 HydrophobicContact CB-CD1 3.93Å; K239-I283 HydrophobicContact CB-CG2 4.23Å; K239-I283 HydrophobicContact CD-CG2 3.78Å; K239-I283 HydrophobicContact CG-CG2 3.81Å; K239-E288 PolarHBondContact NZ-O 2.99Å
240E56.8Low63.9Low68 Ų6829 Ų2932%0.31815%0.154SC..SBendtrans-62.8-47.3-179-85.1-169.516800115K64 P200 D285K64-E240 IonicContact NZ-OE2 3.8Å; P200-E240 HydrophobicContact CB-CG 3.42Å; P200-E240 VanDerWaalsContact CB-CG 3.42Å; P200-E240 HydrophobicContact CG-CB 4.09Å; P200-E240 HydrophobicContact CG-CG 3.22Å; E240-D285 VanDerWaalsContact CD-OD1 3.27Å; E240-D285 VanDerWaalsContact CG-OD1 3.28Å; E240-D285 WeakPolarHBondContact CG-OD1 3.35Å; E240-D285 WeakPolarHBondContact OE2-CB 3.01Å
241S53.7Low65.9Low72 Ų7226.4 Ų26.450%0.50314%0.144SC..SBendtrans-93-40.4-166.160.60000114K239K239-S241 WeakPolarHBondContact CE-OG 3.14Å
242S54.8Low68.2Low36 Ų3628.2 Ų28.225%0.25215%0.149SC..SBendtrans-93.6130.2172.159.70000107.4K239 A244K239-S242 WeakPolarHBondContact CD-OG 3.4Å; S242-A244 PolarHBondContact O-N 3.37Å; S242-A244 VanDerWaalsContact OG-CB 3.31Å; S242-A244 WeakPolarHBondContact OG-CB 3.34Å
243S71.6Confident70.2Confident28 Ų2829 Ų2920%0.19616%0.155CC..SBendtrans-63.565167.5-58.90000110.4L259 R260S243-L259 VanDerWaalsContact O-CB 3.29Å; S243-L259 WeakPolarHBondContact O-CB 3.5Å; S243-L259 PolarHBondContact O-N 2.99Å; S243-R260 PolarHBondContact OG-NE 2.95Å; S243-R260 PolarHBondContact OG-NH2 2.84Å
244A81.1Confident72.4Confident4 Ų425.6 Ų25.63%0.03314%0.139CC..EExtended strand (participates in β ladder)trans-132.6140.7-17000000110K239 S242 Y246 K256 W257K239-A244 PolarHBondContact N-O 3.21Å; S242-A244 PolarHBondContact O-N 3.37Å; S242-A244 VanDerWaalsContact OG-CB 3.31Å; S242-A244 WeakPolarHBondContact OG-CB 3.34Å; A244-Y246 HydrophobicContact CB-CE2 4.47Å; A244-K256 HydrophobicContact CB-CG 4.3Å; A244-W257 CarbonylContact C-O 3.52Å; A244-W257 WeakPolarHBondContact CA-O 3.35Å; A244-W257 WeakPolarHBondContact CB-O 3.41Å
245L85.7Confident74.1Confident3 Ų324.7 Ų24.72%0.01614%0.135CC..EExtended strand (participates in β ladder)trans-112.9133.8175.7171.769.7000107.6A206 I214 I216 L236 P238 W257 L259A206-L245 HydrophobicContact CB-CD1 4.16Å; A206-L245 HydrophobicContact CB-CD2 4.26Å; I214-L245 HydrophobicContact CG2-CD2 3.84Å; I216-L245 HydrophobicContact CD1-CD2 4.39Å; L236-L245 HydrophobicContact CB-CD1 4.25Å; L236-L245 HydrophobicContact CD2-CD1 4.3Å; L236-L245 HydrophobicContact CD2-CD2 4.27Å; L236-L245 HydrophobicContact CD2-CG 4.36Å; P238-L245 HydrophobicContact CG-CD1 4.07Å; L245-W257 HydrophobicContact CB-CB 4.11Å; L245-W257 PolarHBondContact N-O 3.41Å; L245-W257 WeakPolarHBondContact O-CB 3.44Å; L245-W257 VanDerWaalsContact O-CD1 3.23Å; L245-W257 PolarHBondContact O-N 3.14Å; L245-L259 HydrophobicContact CB-CD1 4.3Å; L245-L259 HydrophobicContact CB-CD2 3.92Å; L245-L259 HydrophobicContact CB-CG 4.2Å; L245-L259 HydrophobicContact CD2-CD2 4.46Å
246Y89.9Confident75.8Confident0 Ų025.3 Ų25.30%014%0.137CC..EExtended strand (participates in β ladder)trans-102.4138173-71.8-100.3000109.7L236 V237 K239 A244 L254 V255 K256 I283 L306L236-Y246 WeakPolarHBondContact CA-O 3.16Å; V237-Y246 PolarHBondContact N-O 3.36Å; V237-Y246 PolarHBondContact O-N 2.9Å; K239-Y246 HydrophobicContact CB-CE2 4.15Å; K239-Y246 HydrophobicContact CD-CE2 4.17Å; A244-Y246 HydrophobicContact CB-CE2 4.47Å; Y246-L254 HydrophobicContact CD1-CD1 4.2Å; Y246-L254 HydrophobicContact CD1-CD2 4.18Å; Y246-L254 HydrophobicContact CD1-CG 4.22Å; Y246-L254 HydrophobicContact CE1-CD2 4.46Å; Y246-V255 CarbonylContact C-O 3.49Å; Y246-V255 VanDerWaalsContact CA-O 3.29Å; Y246-V255 WeakPolarHBondContact CA-O 3.26Å; Y246-K256 HydrophobicContact CD1-CB 4.19Å; Y246-K256 HydrophobicContact CD1-CG 4.49Å; Y246-K256 HydrophobicContact CE1-CB 3.9Å; Y246-K256 HydrophobicContact CE1-CD 4.21Å; Y246-K256 HydrophobicContact CE1-CG 3.93Å; Y246-K256 HydrophobicContact CE2-CG 4.27Å; Y246-I283 HydrophobicContact CD2-CD1 3.41Å; Y246-I283 VanDerWaalsContact CD2-CD1 3.41Å; Y246-I283 HydrophobicContact CE2-CD1 3.93Å; Y246-I283 HydrophobicContact CG-CD1 4.09Å; Y246-L306 HydrophobicContact CE1-CD2 4.15Å
247S90.4Very high77.3Confident0 Ų025.5 Ų25.50%014%0.138CC..EExtended strand (participates in β ladder)trans-134.7155.2174.477.80000111.7L236 V255 W257L236-S247 VanDerWaalsContact CD2-CB 3.5Å; S247-V255 PolarHBondContact N-O 2.96Å; S247-V255 PolarHBondContact O-N 3.02Å; S247-W257 PolarHBondContact OG-NE1 3.07Å
248G90.2Very high78.5Confident0 Ų027.7 Ų27.70%015%0.148CC..EExtended strand (participates in β ladder)trans-162.7159.7178.300000112.3Q235Q235-G248 PolarHBondContact N-O 2.91Å; Q235-G248 PolarHBondContact O-N 3.18Å
249G85.3Confident79.6Confident2 Ų229.3 Ų29.32%0.02116%0.156CC..  trans-168.8-151.3179.300000113.4E251 R252 I278G249-E251 PolarHBondContact O-N 2.93Å; G249-R252 PolarHBondContact O-N 2.91Å; G249-I278 PolarHBondContact O-N 2.89Å
250Q81.6Confident80.6Confident85 Ų8538.3 Ų38.340%0.39719%0.19SC..THydrogen-bonded Turntrans-66.5-19.7-174.8-68.5174.24.700114.1Q233 R252Q233-Q250 VanDerWaalsContact OE1-NE2 3.1Å; Q250-R252 WeakPolarHBondContact O-CG 3.06Å; Q250-R252 PolarHBondContact O-N 3.19Å; Q250-R252 VanDerWaalsContact O-N 3.17Å
251E78.6Confident81.3Confident60 Ų6037.7 Ų37.728%0.2819%0.189SC..THydrogen-bonded Turntrans-67.5-10.9177.3-60.1-61.2154.100113.6G249 V253G249-E251 PolarHBondContact O-N 2.93Å; E251-V253 VanDerWaalsContact C-N 3.26Å; E251-V253 HydrophobicContact CB-CG2 4.21Å; E251-V253 WeakPolarHBondContact O-CG2 3.37Å; E251-V253 PolarHBondContact O-N 3.27Å
252R86.9Confident81.6Confident51 Ų5137.7 Ų37.719%0.19219%0.187CC..  trans60.736.4-178.2-39.2-173.5-173.4164.25.7112.6G249 Q250 R273 I274 G275 G276G249-R252 PolarHBondContact O-N 2.91Å; Q250-R252 WeakPolarHBondContact O-CG 3.06Å; Q250-R252 PolarHBondContact O-N 3.19Å; Q250-R252 VanDerWaalsContact O-N 3.17Å; R252-R273 PolarHBondContact O-N 3.33Å; R252-I274 PolarHBondContact O-N 3.09Å; R252-G275 WeakPolarHBondContact CD-O 3.48Å; R252-G276 WeakPolarHBondContact CA-O 2.93Å; R252-G276 WeakPolarHBondContact CB-O 3.32Å; R252-G276 WeakPolarHBondContact CG-O 3.13Å
253V90.5Very high82.1Confident31 Ų3139.4 Ų39.419%0.18819%0.194CC..  trans-126.3127.1178.7-174.90000109.3E251 V255 Y270 L271 P272 I278E251-V253 VanDerWaalsContact C-N 3.26Å; E251-V253 HydrophobicContact CB-CG2 4.21Å; E251-V253 WeakPolarHBondContact O-CG2 3.37Å; E251-V253 PolarHBondContact O-N 3.27Å; V253-V255 HydrophobicContact CG1-CG2 4.19Å; V253-Y270 HydrophobicContact CG1-CD1 4.12Å; V253-L271 WeakPolarHBondContact CA-O 3.41Å; V253-P272 HydrophobicContact CG2-CB 4.31Å; V253-I278 VanDerWaalsContact O-CD1 3.3Å; V253-I278 WeakPolarHBondContact O-CD1 3.45Å
254L93Very high81.7Confident0 Ų041.1 Ų41.10%020%0.204CC..EExtended strand (participates in β ladder)trans-88.9125.7167.3-178.874.1000108.5Y246 L271 I274 I278 I281 V292 V302 L306Y246-L254 HydrophobicContact CD1-CD1 4.2Å; Y246-L254 HydrophobicContact CD1-CD2 4.18Å; Y246-L254 HydrophobicContact CD1-CG 4.22Å; Y246-L254 HydrophobicContact CE1-CD2 4.46Å; L254-L271 HydrophobicContact CB-CB 4.21Å; L254-L271 PolarHBondContact N-O 3.14Å; L254-L271 PolarHBondContact O-N 2.86Å; L254-I274 HydrophobicContact CB-CD1 4.12Å; L254-I278 HydrophobicContact CB-CD1 3.88Å; L254-I278 HydrophobicContact CD1-CD1 4.17Å; L254-I281 HydrophobicContact CD1-CD1 3.82Å; L254-I281 HydrophobicContact CD1-CG1 4.26Å; L254-V292 HydrophobicContact CD1-CG2 4.17Å; L254-V292 HydrophobicContact CD2-CG2 3.96Å; L254-V302 HydrophobicContact CD2-CB 4.5Å; L254-V302 HydrophobicContact CD2-CG1 4.16Å; L254-L306 HydrophobicContact CD2-CD2 3.91Å
255V91.3Very high80.9Confident4 Ų446.5 Ų46.52%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-111.1133.7179.2-168.10000109.3Y246 S247 V253 W257 Y270Y246-V255 CarbonylContact C-O 3.49Å; Y246-V255 VanDerWaalsContact CA-O 3.29Å; Y246-V255 WeakPolarHBondContact CA-O 3.26Å; S247-V255 PolarHBondContact N-O 2.96Å; S247-V255 PolarHBondContact O-N 3.02Å; V253-V255 HydrophobicContact CG1-CG2 4.19Å; V255-W257 HydrophobicContact CG1-CD2 4.32Å; V255-W257 HydrophobicContact CG1-CG 4.43Å; V255-W257 HydrophobicContact CG1-CZ2 4.11Å; V255-Y270 HydrophobicContact CB-CD1 4.36Å; V255-Y270 HydrophobicContact CB-CE1 4.48Å; V255-Y270 HydrophobicContact CG1-CD1 3.91Å; V255-Y270 HydrophobicContact CG1-CE1 3.7Å; V255-Y270 HydrophobicContact CG2-CD1 3.84Å; V255-Y270 HydrophobicContact CG2-CE1 4.01Å
256K89.6Confident80Confident38 Ų3853.7 Ų53.717%0.16527%0.27CS..EExtended strand (participates in β ladder)trans-112.1112.6172.6179.2-170.2176-164.20108.9A244 Y246 R268 D269 T304 L306A244-K256 HydrophobicContact CB-CG 4.3Å; Y246-K256 HydrophobicContact CD1-CB 4.19Å; Y246-K256 HydrophobicContact CD1-CG 4.49Å; Y246-K256 HydrophobicContact CE1-CB 3.9Å; Y246-K256 HydrophobicContact CE1-CD 4.21Å; Y246-K256 HydrophobicContact CE1-CG 3.93Å; Y246-K256 HydrophobicContact CE2-CG 4.27Å; K256-R268 WeakPolarHBondContact O-CA 3.32Å; K256-D269 HydrophobicContact CB-CB 4.33Å; K256-D269 PolarHBondContact N-O 3.19Å; K256-D269 IonicContact NZ-OD2 2.65Å; K256-D269 PolarHBondContact O-N 3.5Å; K256-T304 PolarHBondContact NZ-O 2.92Å; K256-L306 HydrophobicContact CB-CD1 4.26Å; K256-L306 HydrophobicContact CB-CD2 4.29Å
257W86Confident79.4Confident9 Ų953.9 Ų53.93%0.03427%0.272CS..EExtended strand (participates in β ladder)trans-94.9131-179.8-56.278.6000109.5I214 F226 Q228 A244 L245 S247 V255 R268I214-W257 HydrophobicContact CD1-CZ2 3.8Å; F226-W257 HydrophobicContact CB-CZ3 4.35Å; F226-W257 HydrophobicContact CD1-CE3 4.41Å; F226-W257 HydrophobicContact CD1-CZ3 4.28Å; Q228-W257 HydrophobicContact CB-CH2 4.25Å; Q228-W257 HydrophobicContact CG-CH2 4.38Å; Q228-W257 VanDerWaalsContact OE1-CH2 3.26Å; Q228-W257 VanDerWaalsContact OE1-CZ2 3.29Å; A244-W257 CarbonylContact C-O 3.52Å; A244-W257 WeakPolarHBondContact CA-O 3.35Å; A244-W257 WeakPolarHBondContact CB-O 3.41Å; L245-W257 HydrophobicContact CB-CB 4.11Å; L245-W257 PolarHBondContact N-O 3.41Å; L245-W257 WeakPolarHBondContact O-CB 3.44Å; L245-W257 VanDerWaalsContact O-CD1 3.23Å; L245-W257 PolarHBondContact O-N 3.14Å; S247-W257 PolarHBondContact OG-NE1 3.07Å; V255-W257 HydrophobicContact CG1-CD2 4.32Å; V255-W257 HydrophobicContact CG1-CG 4.43Å; V255-W257 HydrophobicContact CG1-CZ2 4.11Å; W257-R268 HydrophobicContact CD2-CG 4.14Å; W257-R268 HydrophobicContact CE3-CG 3.72Å; W257-R268 HydrophobicContact CZ3-CG 4.09Å; W257-R268 VanDerWaalsContact CZ3-NH1 3.31Å
258N83.3Confident79Confident74 Ų7456 Ų5640%0.39628%0.281SS..EExtended strand (participates in β ladder)trans-90104.3172.1-175.2-10.8000109.7R260 N261 G267N258-R260 PolarHBondContact O-N 3.45Å; N258-R260 VanDerWaalsContact O-N 3.16Å; N258-R260 WeakPolarHBondContact OD1-CB 3.27Å; N258-R260 PolarHBondContact OD1-N 3.48Å; N258-N261 CarbonylContact O-C 3.51Å; N258-N261 PolarHBondContact O-N 2.83Å; N258-N261 VanDerWaalsContact O-N 3.08Å; N258-G267 WeakPolarHBondContact CB-O 3.43Å; N258-G267 PolarHBondContact N-O 3.13Å
259L76.3Confident79Confident49 Ų4960.2 Ų60.226%0.25730%0.303SS..THydrogen-bonded Turntrans-67-15.4-178.5-59.1178.7000113.6I216 S243 L245I216-L259 HydrophobicContact CD1-CD2 3.36Å; S243-L259 VanDerWaalsContact O-CB 3.29Å; S243-L259 WeakPolarHBondContact O-CB 3.5Å; S243-L259 PolarHBondContact O-N 2.99Å; L245-L259 HydrophobicContact CB-CD1 4.3Å; L245-L259 HydrophobicContact CB-CD2 3.92Å; L245-L259 HydrophobicContact CB-CG 4.2Å; L245-L259 HydrophobicContact CD2-CD2 4.46Å
260R75.1Confident79.2Confident191 Ų19165.2 Ų65.272%0.72132%0.322SS*.THydrogen-bonded Turntrans-82.4-24.4174.2-67.5177.8-173.2-178.41.8112.7S243 N258 P262S243-R260 PolarHBondContact OG-NE 2.95Å; S243-R260 PolarHBondContact OG-NH2 2.84Å; N258-R260 PolarHBondContact O-N 3.45Å; N258-R260 VanDerWaalsContact O-N 3.16Å; N258-R260 WeakPolarHBondContact OD1-CB 3.27Å; N258-R260 PolarHBondContact OD1-N 3.48Å; R260-P262 WeakPolarHBondContact O-CD 3.45Å
261N71.5Confident79.8Confident54 Ų5462.3 Ų62.329%0.28931%0.309SS..  trans-111.293.4176.3-169.92.3000109N258 D263N258-N261 CarbonylContact O-C 3.51Å; N258-N261 PolarHBondContact O-N 2.83Å; N258-N261 VanDerWaalsContact O-N 3.08Å; N261-D263 PolarHBondContact O-N 2.97Å; N261-D263 VanDerWaalsContact O-N 3.14Å; N261-D263 WeakPolarHBondContact OD1-CB 3.29Å; N261-D263 PolarHBondContact OD1-N 2.9Å
262P60.5Low80.3Confident72 Ų7263.1 Ų63.147%0.46832%0.32SS..  trans-69.8-6.2-177.928.7-33.8000113.2F226 R260 P264F226-P262 HydrophobicContact CE1-CB 4.34Å; F226-P262 HydrophobicContact CZ-CB 4.23Å; R260-P262 WeakPolarHBondContact O-CD 3.45Å; P262-P264 WeakPolarHBondContact O-CD 3.23Å
263D66.1Low80Confident73 Ų7369.6 Ų69.639%0.3934%0.344SS..  trans-66.6117.4179.7-161.9-25.1000111N261 T265 E266 G267N261-D263 PolarHBondContact O-N 2.97Å; N261-D263 VanDerWaalsContact O-N 3.14Å; N261-D263 WeakPolarHBondContact OD1-CB 3.29Å; N261-D263 PolarHBondContact OD1-N 2.9Å; D263-T265 PolarHBondContact O-N 2.81Å; D263-T265 PolarHBondContact OD1-N 2.69Å; D263-T265 VanDerWaalsContact OD1-N 3.1Å; D263-T265 PolarHBondContact OD1-OG1 2.83Å; D263-T265 VanDerWaalsContact OD1-OG1 3.1Å; D263-E266 PolarHBondContact O-N 2.82Å; D263-G267 WeakPolarHBondContact O-CA 2.97Å; D263-G267 PolarHBondContact O-N 2.82Å
264P62.8Low79.9Confident64 Ų6468.4 Ų68.442%0.41634%0.336SS..THydrogen-bonded Turntrans-57.1-27.4177.217.5-28.2000113.9P262 R268P262-P264 WeakPolarHBondContact O-CD 3.23Å; P264-R268 VanDerWaalsContact C-NH2 3.31Å; P264-R268 PolarHBondContact O-NE 3.46Å; P264-R268 PolarHBondContact O-NH2 3.35Å
265T64.3Low79.4Confident117 Ų11769.7 Ų69.772%0.71835%0.35SS*.THydrogen-bonded Turntrans-82.6-27.2-175.251.50000114.2D263D263-T265 PolarHBondContact O-N 2.81Å; D263-T265 PolarHBondContact OD1-N 2.69Å; D263-T265 VanDerWaalsContact OD1-N 3.1Å; D263-T265 PolarHBondContact OD1-OG1 2.83Å; D263-T265 VanDerWaalsContact OD1-OG1 3.1Å
266E67.1Low79Confident153 Ų15369.6 Ų69.672%0.71535%0.35SS*.THydrogen-bonded Turntrans-123-7.7-173.6-62.8-169168.700113.9D263 R268D263-E266 PolarHBondContact O-N 2.82Å; E266-R268 VanDerWaalsContact C-N 3.35Å; E266-R268 PolarHBondContact O-N 3.04Å
267G76.1Confident78.9Confident5 Ų568.4 Ų68.45%0.05235%0.346CS..SBendtrans-88.515-178.600000115.3N258 D263N258-G267 WeakPolarHBondContact CB-O 3.43Å; N258-G267 PolarHBondContact N-O 3.13Å; D263-G267 WeakPolarHBondContact O-CA 2.97Å; D263-G267 PolarHBondContact O-N 2.82Å
268R83.4Confident79.1Confident45 Ų4568 Ų6817%0.1734%0.344CS..EExtended strand (participates in β ladder)trans-140.3131.2-169-64.8-175.8-91.9-159.68.5114Q228 K256 W257 P264 E266 Y270Q228-R268 VanDerWaalsContact CD-NH1 3.27Å; K256-R268 WeakPolarHBondContact O-CA 3.32Å; W257-R268 HydrophobicContact CD2-CG 4.14Å; W257-R268 HydrophobicContact CE3-CG 3.72Å; W257-R268 HydrophobicContact CZ3-CG 4.09Å; W257-R268 VanDerWaalsContact CZ3-NH1 3.31Å; P264-R268 VanDerWaalsContact C-NH2 3.31Å; P264-R268 PolarHBondContact O-NE 3.46Å; P264-R268 PolarHBondContact O-NH2 3.35Å; E266-R268 VanDerWaalsContact C-N 3.35Å; E266-R268 PolarHBondContact O-N 3.04Å; R268-Y270 HydrophobicContact CB-CE2 3.96Å; R268-Y270 WeakPolarHBondContact CD-OH 3.48Å; R268-Y270 PolarHBondContact NE-OH 3.13Å
269D89.1Confident79.4Confident88 Ų8869.4 Ų69.447%0.47134%0.344SS..EExtended strand (participates in β ladder)trans-110.8147.2168.5-56.2-43.5000110.3K256 L306K256-D269 HydrophobicContact CB-CB 4.33Å; K256-D269 PolarHBondContact N-O 3.19Å; K256-D269 IonicContact NZ-OD2 2.65Å; K256-D269 PolarHBondContact O-N 3.5Å; D269-L306 HydrophobicContact CB-CD1 3.45Å; D269-L306 VanDerWaalsContact CB-CD1 3.45Å; D269-L306 HydrophobicContact CB-CG 4.49Å
270Y90.6Very high80.1Confident106 Ų10668 Ų6842%0.41634%0.336SS..EExtended strand (participates in β ladder)trans-126.5139.3-176.6-56.6-90.4000111.8V253 V255 R268 P272V253-Y270 HydrophobicContact CG1-CD1 4.12Å; V255-Y270 HydrophobicContact CB-CD1 4.36Å; V255-Y270 HydrophobicContact CB-CE1 4.48Å; V255-Y270 HydrophobicContact CG1-CD1 3.91Å; V255-Y270 HydrophobicContact CG1-CE1 3.7Å; V255-Y270 HydrophobicContact CG2-CD1 3.84Å; V255-Y270 HydrophobicContact CG2-CE1 4.01Å; R268-Y270 HydrophobicContact CB-CE2 3.96Å; R268-Y270 WeakPolarHBondContact CD-OH 3.48Å; R268-Y270 PolarHBondContact NE-OH 3.13Å; Y270-P272 WeakPolarHBondContact O-CD 3.12Å
271L93.1Very high80.9Confident24 Ų2459 Ų5913%0.12630%0.302CS..EExtended strand (participates in β ladder)trans-114.391.2163.8178.155.5000108.5V253 L254 I274 V302 L306 I308V253-L271 WeakPolarHBondContact CA-O 3.41Å; L254-L271 HydrophobicContact CB-CB 4.21Å; L254-L271 PolarHBondContact N-O 3.14Å; L254-L271 PolarHBondContact O-N 2.86Å; L271-I274 HydrophobicContact CD2-CD1 3.97Å; L271-I274 HydrophobicContact CD2-CG1 4.35Å; L271-V302 HydrophobicContact CD2-CG1 3.75Å; L271-V302 HydrophobicContact CD2-CG2 4.06Å; L271-L306 HydrophobicContact CB-CB 4.17Å; L271-L306 HydrophobicContact CB-CD1 4.39Å; L271-L306 HydrophobicContact CB-CD2 4.41Å; L271-L306 WeakPolarHBondContact CD1-O 3.24Å; L271-I308 HydrophobicContact CD2-CD1 4.49Å; L271-I308 HydrophobicContact CD2-CG1 3.98Å
272P88.9Confident81.7Confident78 Ų7859.7 Ų59.751%0.50630%0.302SS..  trans-75.8157.1179.632.1-35.1000111.8V253 Y270 I274V253-P272 HydrophobicContact CG2-CB 4.31Å; Y270-P272 WeakPolarHBondContact O-CD 3.12Å; P272-I274 PolarHBondContact O-N 3.02Å
273R81.2Confident83Confident187 Ų18756.7 Ų56.771%0.70628%0.282SS*.  trans57.447.1172.7-54.3179.2-176.2-173.1-0.5113.2R252 G275 M381R252-R273 PolarHBondContact O-N 3.33Å; R273-G275 PolarHBondContact O-N 2.8Å; R273-G275 VanDerWaalsContact O-N 3.15Å; R273-M381 VanDerWaalsContact CZ-SD 3.55Å; R273-M381 PolarHBondContact NH2-SD 3.21Å
274I87.9Confident83.9Confident5 Ų553.6 Ų53.63%0.02627%0.266CS..  trans-67-14.6-178.9-160.7164.9000113.4R252 L254 L271 P272 I278 V292 L294 Q300 V302 I308R252-I274 PolarHBondContact O-N 3.09Å; L254-I274 HydrophobicContact CB-CD1 4.12Å; L271-I274 HydrophobicContact CD2-CD1 3.97Å; L271-I274 HydrophobicContact CD2-CG1 4.35Å; P272-I274 PolarHBondContact O-N 3.02Å; I274-I278 HydrophobicContact CG2-CD1 4.29Å; I274-I278 HydrophobicContact CG2-CG1 4.1Å; I274-V292 HydrophobicContact CD1-CB 4.06Å; I274-V292 HydrophobicContact CD1-CG1 4Å; I274-V292 HydrophobicContact CD1-CG2 4.15Å; I274-L294 HydrophobicContact CG1-CD1 4.3Å; I274-L294 HydrophobicContact CG2-CD1 4.07Å; I274-L294 HydrophobicContact CG2-CD2 3.65Å; I274-L294 VanDerWaalsContact O-CD1 3.29Å; I274-L294 WeakPolarHBondContact O-CD1 3.49Å; I274-Q300 HydrophobicContact CD1-CB 4.38Å; I274-Q300 HydrophobicContact CG1-CB 4.28Å; I274-Q300 HydrophobicContact CG1-CG 4.02Å; I274-V302 HydrophobicContact CD1-CG2 4.25Å; I274-I308 HydrophobicContact CG1-CD1 4.24Å
275G82.6Confident84.4Confident28 Ų2853.4 Ų53.429%0.28926%0.262SS..SBendtrans136.1-69.9176.400000111.1R252 R273R252-G275 WeakPolarHBondContact CD-O 3.48Å; R273-G275 PolarHBondContact O-N 2.8Å; R273-G275 VanDerWaalsContact O-N 3.15Å
276G83.9Confident84.9Confident2 Ų251.9 Ų51.92%0.02125%0.247CC..SBendtrans-125.3-177.5-179.400000113.5R252 D295R252-G276 WeakPolarHBondContact CA-O 2.93Å; R252-G276 WeakPolarHBondContact CB-O 3.32Å; R252-G276 WeakPolarHBondContact CG-O 3.13Å; G276-D295 WeakPolarHBondContact CA-OD1 3.26Å
277S87.3Confident85.1Confident12 Ų1246.3 Ų46.38%0.08423%0.225CC..  trans-66.2135173.9-45.40000109.4R279 L294 D295S277-R279 PolarHBondContact O-N 2.9Å; S277-L294 CarbonylContact O-C 3.56Å; S277-L294 VanDerWaalsContact O-CA 3.31Å; S277-L294 WeakPolarHBondContact O-CA 3.28Å; S277-D295 WeakPolarHBondContact CB-OD2 3.14Å; S277-D295 VanDerWaalsContact N-CG 3.27Å; S277-D295 PolarHBondContact N-OD1 2.68Å; S277-D295 PolarHBondContact N-OD2 2.9Å; S277-D295 PolarHBondContact O-N 3.33Å; S277-D295 PolarHBondContact OG-OD2 2.89Å
278I90.9Very high85.3Confident0 Ų050.7 Ų50.70%024%0.243CC..EExtended strand (participates in β ladder)trans-78.1117.3-175.8-65172.4000109.5E234 G249 V253 L254 I274 I281 V292 L294E234-I278 WeakPolarHBondContact CB-O 3.44Å; E234-I278 VanDerWaalsContact OE2-O 3.11Å; G249-I278 PolarHBondContact O-N 2.89Å; V253-I278 VanDerWaalsContact O-CD1 3.3Å; V253-I278 WeakPolarHBondContact O-CD1 3.45Å; L254-I278 HydrophobicContact CB-CD1 3.88Å; L254-I278 HydrophobicContact CD1-CD1 4.17Å; I274-I278 HydrophobicContact CG2-CD1 4.29Å; I274-I278 HydrophobicContact CG2-CG1 4.1Å; I278-I281 HydrophobicContact CG2-CD1 3.93Å; I278-I281 HydrophobicContact CG2-CG1 3.54Å; I278-V292 HydrophobicContact CB-CG1 4.28Å; I278-V292 HydrophobicContact CD1-CG1 4.08Å; I278-V292 HydrophobicContact CG1-CG1 3.8Å; I278-V292 HydrophobicContact CG2-CG1 3.65Å; I278-L294 HydrophobicContact CB-CD2 4.48Å; I278-L294 HydrophobicContact CG1-CD2 3.76Å
279R89Confident85.5Confident105 Ų10550 Ų5040%0.39624%0.242SC..EExtended strand (participates in β ladder)trans-100.6-46.3-179.5-167.6177.2-172.298.50.1112.9Q235 S277 S293Q235-R279 PolarHBondContact OE1-O 2.86Å; S277-R279 PolarHBondContact O-N 2.9Å; R279-S293 PolarHBondContact N-O 3.36Å
280W91.1Very high85.6Confident19 Ų1945.8 Ų45.87%0.07222%0.22CC..EExtended strand (participates in β ladder)trans-127.9144.6175.5-51105.6000111.4I15 P18 L151 K152 V292 S293I15-W280 VanDerWaalsContact O-CD1 3.31Å; I15-W280 PolarHBondContact O-NE1 3.17Å; P18-W280 HydrophobicContact CB-CB 4.43Å; P18-W280 HydrophobicContact CB-CD2 4.13Å; P18-W280 HydrophobicContact CB-CE3 4.1Å; P18-W280 HydrophobicContact CB-CG 4.28Å; P18-W280 HydrophobicContact CG-CE3 4.42Å; L151-W280 HydrophobicContact CB-CH2 4.23Å; K152-W280 HydrophobicContact CG-CH2 4.32Å; K152-W280 HydrophobicContact CG-CZ3 4.21Å; W280-V292 CarbonylContact O-C 3.58Å; W280-V292 WeakPolarHBondContact O-CA 3.5Å; W280-S293 PolarHBondContact N-O 3.12Å; W280-S293 VanDerWaalsContact N-O 3.13Å; W280-S293 PolarHBondContact O-N 2.85Å
281I92Very high85.8Confident2 Ų240.7 Ų40.71%0.0120%0.2CC..EExtended strand (participates in β ladder)trans-132.4126.9175.4-59.2175000102.2Q235 V237 L254 I278 I283 T290 A291 V292Q235-I281 HydrophobicContact CB-CD1 4.37Å; Q235-I281 VanDerWaalsContact CD-N 3.34Å; Q235-I281 PolarHBondContact NE2-O 2.79Å; Q235-I281 VanDerWaalsContact NE2-O 3.08Å; V237-I281 HydrophobicContact CB-CG2 4.22Å; V237-I281 HydrophobicContact CG2-CB 3.91Å; V237-I281 HydrophobicContact CG2-CG2 3.97Å; V237-I281 VanDerWaalsContact CG2-O 3.3Å; V237-I281 WeakPolarHBondContact CG2-O 3.49Å; L254-I281 HydrophobicContact CD1-CD1 3.82Å; L254-I281 HydrophobicContact CD1-CG1 4.26Å; I278-I281 HydrophobicContact CG2-CD1 3.93Å; I278-I281 HydrophobicContact CG2-CG1 3.54Å; I281-I283 HydrophobicContact CG2-CG1 4.39Å; I281-T290 HydrophobicContact CG2-CG2 3.83Å; I281-A291 CarbonylContact C-O 3.39Å; I281-A291 WeakPolarHBondContact CA-O 3.36Å; I281-V292 HydrophobicContact CG1-CG1 4.45Å
282F88.8Confident85.9Confident68 Ų6839.6 Ų39.630%0.29819%0.194SC..EExtended strand (participates in β ladder)trans-137.7129.1177.4-169.4-96000108.1P19 F21 T290 A291P19-F282 HydrophobicContact CG-CB 4.34Å; P19-F282 WeakPolarHBondContact O-CD2 2.87Å; P19-F282 VanDerWaalsContact O-CG 3.25Å; P19-F282 WeakPolarHBondContact O-CG 3.39Å; F21-F282 HydrophobicContact CB-CE1 4.11Å; F21-F282 AromaticContact CD2-CD1 3.44Å; F21-F282 HydrophobicContact CD2-CD1 3.44Å; F21-F282 VanDerWaalsContact CD2-CD1 3.44Å; F21-F282 AromaticContact CD2-CE1 3.71Å; F21-F282 HydrophobicContact CD2-CE1 3.71Å; F21-F282 AromaticContact CE2-CD1 4Å; F21-F282 HydrophobicContact CE2-CD1 4Å; F21-F282 HydrophobicContact CG-CD1 4.34Å; F21-F282 HydrophobicContact CG-CE1 4.33Å; F282-T290 CarbonylContact O-C 3.55Å; F282-T290 WeakPolarHBondContact O-CA 3.37Å; F282-A291 HydrophobicContact CB-CB 4.48Å; F282-A291 PolarHBondContact N-O 3.19Å; F282-A291 PolarHBondContact O-N 2.9Å
283I87Confident86.2Confident10 Ų1035.9 Ų35.95%0.05117%0.17CC..EExtended strand (participates in β ladder)trans-109.3130-173.7-56.4-179.8000107.8V237 K239 Y246 I281 T290V237-I283 HydrophobicContact CB-CD1 3.88Å; V237-I283 HydrophobicContact CB-CG1 4.24Å; V237-I283 HydrophobicContact CG1-CB 4.39Å; V237-I283 HydrophobicContact CG1-CD1 3.6Å; V237-I283 HydrophobicContact CG1-CG1 3.82Å; K239-I283 HydrophobicContact CB-CD1 3.93Å; K239-I283 HydrophobicContact CB-CG2 4.23Å; K239-I283 HydrophobicContact CD-CG2 3.78Å; K239-I283 HydrophobicContact CG-CG2 3.81Å; Y246-I283 HydrophobicContact CD2-CD1 3.41Å; Y246-I283 VanDerWaalsContact CD2-CD1 3.41Å; Y246-I283 HydrophobicContact CE2-CD1 3.93Å; Y246-I283 HydrophobicContact CG-CD1 4.09Å; I281-I283 HydrophobicContact CG2-CG1 4.39Å; I283-T290 HydrophobicContact CG1-CG2 4.13Å
284S84.9Confident86.7Confident7 Ų727 Ų275%0.04914%0.137CC..  trans-78.2125.1168.1-175.70000109.2F21 E286 S287 M289F21-S284 VanDerWaalsContact CD2-CB 3.48Å; S284-E286 PolarHBondContact O-N 3.08Å; S284-E286 PolarHBondContact OG-N 3.45Å; S284-S287 WeakPolarHBondContact CB-OG 3.49Å; S284-S287 PolarHBondContact OG-N 2.79Å; S284-S287 PolarHBondContact OG-OG 3.34Å; S284-M289 WeakPolarHBondContact CB-O 3.17Å; S284-M289 PolarHBondContact N-O 2.56Å
285D73.2Confident86.7Confident60 Ų6028.6 Ų28.632%0.32115%0.145SC..SBendtrans-71-21.4173.8-64.1-38.6000112.3K64 E240K64-D285 WeakPolarHBondContact CE-OD2 3.42Å; K64-D285 VanDerWaalsContact NZ-CG 3.31Å; K64-D285 IonicContact NZ-OD2 3.94Å; K64-D285 PolarHBondContact NZ-OD2 2.77Å; E240-D285 VanDerWaalsContact CD-OD1 3.27Å; E240-D285 VanDerWaalsContact CG-OD1 3.28Å; E240-D285 WeakPolarHBondContact CG-OD1 3.35Å; E240-D285 WeakPolarHBondContact OE2-CB 3.01Å
286E74Confident86.8Confident86 Ų8627.7 Ų27.740%0.40213%0.134SC..SBendtrans-106.9-46.6-170.5-62.3-176.6-166.800113.4N24 S284 E288N24-E286 WeakPolarHBondContact CA-OE2 3.34Å; N24-E286 HydrophobicContact CB-CB 4.45Å; N24-E286 VanDerWaalsContact CB-OE2 3.26Å; N24-E286 WeakPolarHBondContact CB-OE2 3.29Å; N24-E286 PolarHBondContact OD1-OE2 2.97Å; S284-E286 PolarHBondContact O-N 3.08Å; S284-E286 PolarHBondContact OG-N 3.45Å; E286-E288 VanDerWaalsContact C-N 3.28Å; E286-E288 PolarHBondContact O-N 3.33Å
287S71.9Confident87.1Confident36 Ų3627.6 Ų27.625%0.25213%0.133SC..SBendtrans-84.90.8-175.858.90000114.3N24 S284 M289N24-S287 WeakPolarHBondContact O-CB 3.37Å; S284-S287 WeakPolarHBondContact CB-OG 3.49Å; S284-S287 PolarHBondContact OG-N 2.79Å; S284-S287 PolarHBondContact OG-OG 3.34Å; S287-M289 WeakPolarHBondContact O-CG 3.48Å; S287-M289 PolarHBondContact O-N 3.46Å; S287-M289 WeakPolarHBondContact OG-CB 3.35Å
288E79.9Confident87.3Confident96 Ų9627 Ų2745%0.44913%0.129SC..  trans55.57.8-168.5-57.1-151.3134.300115.6K239 E286 T304K239-E288 PolarHBondContact NZ-O 2.99Å; E286-E288 VanDerWaalsContact C-N 3.28Å; E286-E288 PolarHBondContact O-N 3.33Å; E288-T304 HydrophobicContact CB-CG2 3.89Å; E288-T304 WeakPolarHBondContact O-CG2 3.44Å
289M88Confident87.5Confident30 Ų3027 Ų2715%0.14813%0.129CC..  trans-85.9152.8-178.1-67-73.2-78.400112.2F21 S284 S287 L301 T303 V309F21-M289 HydrophobicContact CE1-CB 4.44Å; F21-M289 HydrophobicContact CZ-CB 4.05Å; S284-M289 WeakPolarHBondContact CB-O 3.17Å; S284-M289 PolarHBondContact N-O 2.56Å; S287-M289 WeakPolarHBondContact O-CG 3.48Å; S287-M289 PolarHBondContact O-N 3.46Å; S287-M289 WeakPolarHBondContact OG-CB 3.35Å; M289-L301 HydrophobicContact CE-CB 3.72Å; M289-T303 HydrophobicContact SD-CG2 3.84Å; M289-V309 HydrophobicContact CE-CG2 3.17Å; M289-V309 HydrophobicContact SD-CG2 4.17Å
290T92.1Very high87.8Confident0 Ų022.6 Ų22.60%011%0.113CC..EExtended strand (participates in β ladder)trans-121.9121.3174.6-54.60000108.9I281 F282 I283 V292 V302I281-T290 HydrophobicContact CG2-CG2 3.83Å; F282-T290 CarbonylContact O-C 3.55Å; F282-T290 WeakPolarHBondContact O-CA 3.37Å; I283-T290 HydrophobicContact CG1-CG2 4.13Å; T290-V292 HydrophobicContact CG2-CG2 4.02Å; T290-V302 PolarHBondContact N-O 2.93Å; T290-V302 PolarHBondContact O-N 2.86Å
291A94.4Very high87.9Confident0 Ų021.7 Ų21.70%011%0.109CC..EExtended strand (participates in β ladder)trans-89.1130169.100000109.1P19 F21 L28 I281 F282 I299 Q300 L301P19-A291 HydrophobicContact CG-CB 4.14Å; F21-A291 HydrophobicContact CE2-CB 3.78Å; F21-A291 HydrophobicContact CZ-CB 3.64Å; L28-A291 HydrophobicContact CD1-CB 3.99Å; I281-A291 CarbonylContact C-O 3.39Å; I281-A291 WeakPolarHBondContact CA-O 3.36Å; F282-A291 HydrophobicContact CB-CB 4.48Å; F282-A291 PolarHBondContact N-O 3.19Å; F282-A291 PolarHBondContact O-N 2.9Å; A291-I299 HydrophobicContact CB-CG2 4.09Å; A291-Q300 CarbonylContact C-O 3.5Å; A291-Q300 WeakPolarHBondContact CA-O 3.26Å; A291-L301 HydrophobicContact CB-CD2 3.66Å
292V94.9Very high88Confident0 Ų021.6 Ų21.60%011%0.109CC..EExtended strand (participates in β ladder)trans-122.1108.8178.4-169.20000108.8L254 I274 I278 W280 I281 T290 L294 I299 Q300 V302L254-V292 HydrophobicContact CD1-CG2 4.17Å; L254-V292 HydrophobicContact CD2-CG2 3.96Å; I274-V292 HydrophobicContact CD1-CB 4.06Å; I274-V292 HydrophobicContact CD1-CG1 4Å; I274-V292 HydrophobicContact CD1-CG2 4.15Å; I278-V292 HydrophobicContact CB-CG1 4.28Å; I278-V292 HydrophobicContact CD1-CG1 4.08Å; I278-V292 HydrophobicContact CG1-CG1 3.8Å; I278-V292 HydrophobicContact CG2-CG1 3.65Å; W280-V292 CarbonylContact O-C 3.58Å; W280-V292 WeakPolarHBondContact O-CA 3.5Å; I281-V292 HydrophobicContact CG1-CG1 4.45Å; T290-V292 HydrophobicContact CG2-CG2 4.02Å; V292-L294 HydrophobicContact CG1-CD2 3.76Å; V292-I299 CarbonylContact O-C 3.59Å; V292-I299 WeakPolarHBondContact O-CA 3.21Å; V292-Q300 PolarHBondContact N-O 3.33Å; V292-Q300 PolarHBondContact O-N 3.2Å; V292-V302 HydrophobicContact CG2-CG2 4.06Å
293S94.3Very high88.2Confident0 Ų019.8 Ų19.80%010%0.103CC..EExtended strand (participates in β ladder)trans-84.2129.8173.9-53.20000110.5P19 R279 W280 S298P19-S293 WeakPolarHBondContact CD-OG 3.38Å; R279-S293 PolarHBondContact N-O 3.36Å; W280-S293 PolarHBondContact N-O 3.12Å; W280-S293 VanDerWaalsContact N-O 3.13Å; W280-S293 PolarHBondContact O-N 2.85Å; S293-S298 WeakPolarHBondContact CA-O 3.28Å
294L92.4Very high88.1Confident0 Ų020.9 Ų20.90%011%0.111CC..EExtended strand (participates in β ladder)trans-112.3151.8-173.2-54.3-178.4000110.6I15 I274 S277 I278 V292 D296 N297 S298 Q300I15-L294 WeakPolarHBondContact CD1-O 3.46Å; I15-L294 WeakPolarHBondContact CG2-O 3.45Å; I274-L294 HydrophobicContact CG1-CD1 4.3Å; I274-L294 HydrophobicContact CG2-CD1 4.07Å; I274-L294 HydrophobicContact CG2-CD2 3.65Å; I274-L294 VanDerWaalsContact O-CD1 3.29Å; I274-L294 WeakPolarHBondContact O-CD1 3.49Å; S277-L294 CarbonylContact O-C 3.56Å; S277-L294 VanDerWaalsContact O-CA 3.31Å; S277-L294 WeakPolarHBondContact O-CA 3.28Å; I278-L294 HydrophobicContact CB-CD2 4.48Å; I278-L294 HydrophobicContact CG1-CD2 3.76Å; V292-L294 HydrophobicContact CG1-CD2 3.76Å; L294-D296 VanDerWaalsContact CB-OD1 3.23Å; L294-D296 WeakPolarHBondContact CB-OD1 3.47Å; L294-D296 PolarHBondContact O-N 3.15Å; L294-D296 VanDerWaalsContact O-N 3.16Å; L294-N297 PolarHBondContact O-N 2.95Å; L294-N297 VanDerWaalsContact O-N 3.12Å; L294-S298 WeakPolarHBondContact CD1-OG 3.41Å; L294-S298 PolarHBondContact N-O 2.88Å; L294-Q300 HydrophobicContact CD1-CG 3.65Å; L294-Q300 HydrophobicContact CG-CG 4.44Å
295D87.6Confident88.3Confident40 Ų4027.7 Ų27.721%0.21414%0.143CC..THydrogen-bonded Turntrans-59.9-21.517966.5-11.1000114.5G276 S277 N297G276-D295 WeakPolarHBondContact CA-OD1 3.26Å; S277-D295 WeakPolarHBondContact CB-OD2 3.14Å; S277-D295 VanDerWaalsContact N-CG 3.27Å; S277-D295 PolarHBondContact N-OD1 2.68Å; S277-D295 PolarHBondContact N-OD2 2.9Å; S277-D295 PolarHBondContact O-N 3.33Å; S277-D295 PolarHBondContact OG-OD2 2.89Å; D295-N297 PolarHBondContact O-N 3.14Å; D295-N297 VanDerWaalsContact O-N 3.13Å
296D86Confident89.2Confident8 Ų825.7 Ų25.74%0.04313%0.132CC..THydrogen-bonded Turntrans-76.917173.881.1-21.9000113.6L294 S298 A316 R357L294-D296 VanDerWaalsContact CB-OD1 3.23Å; L294-D296 WeakPolarHBondContact CB-OD1 3.47Å; L294-D296 PolarHBondContact O-N 3.15Å; L294-D296 VanDerWaalsContact O-N 3.16Å; D296-S298 PolarHBondContact O-N 3.31Å; D296-S298 VanDerWaalsContact OD1-CB 3.3Å; D296-S298 WeakPolarHBondContact OD1-CB 3.32Å; D296-S298 PolarHBondContact OD1-N 3.28Å; D296-S298 PolarHBondContact OD1-OG 3.39Å; D296-A316 HydrophobicContact CB-CB 4.22Å; D296-A316 VanDerWaalsContact O-CA 3.23Å; D296-A316 WeakPolarHBondContact O-CA 3.24Å; D296-A316 WeakPolarHBondContact O-CB 3.47Å; D296-R357 IonicContact OD2-CZ 3.96Å; D296-R357 VanDerWaalsContact OD2-CZ 3.27Å; D296-R357 IonicContact OD2-NE 3.98Å; D296-R357 PolarHBondContact OD2-NE 3.24Å; D296-R357 IonicContact OD2-NH2 2.6Å; D296-R357 PolarHBondContact OD2-NH2 3.13Å
297N89.8Confident90.1Very high0 Ų028.1 Ų28.10%014%0.142CC..THydrogen-bonded Turntrans60.731.6179.5-164.731.4000113.7N12 R13 L14 L294 D295 G314 I315 Q665N12-N297 PolarHBondContact O-ND2 3.48Å; N12-N297 PolarHBondContact O-OD1 3.33Å; R13-N297 VanDerWaalsContact CA-OD1 3.32Å; R13-N297 WeakPolarHBondContact CA-OD1 3.4Å; L14-N297 PolarHBondContact N-OD1 3.45Å; L294-N297 PolarHBondContact O-N 2.95Å; L294-N297 VanDerWaalsContact O-N 3.12Å; D295-N297 PolarHBondContact O-N 3.14Å; D295-N297 VanDerWaalsContact O-N 3.13Å; N297-G314 PolarHBondContact O-N 3.02Å; N297-I315 WeakPolarHBondContact CB-O 3.49Å; N297-I315 PolarHBondContact ND2-N 3.41Å; N297-I315 PolarHBondContact ND2-O 3.36Å; N297-I315 VanDerWaalsContact ND2-O 3.08Å; N297-Q665 VanDerWaalsContact CG-OE1 3.31Å; N297-Q665 PolarHBondContact ND2-OE1 3.36Å
298S91.1Very high91.1Very high0 Ų029.9 Ų29.90%015%0.148CC..EExtended strand (participates in β ladder)trans-115.6158.2171.775.10000112.4S293 L294 D296 I312S293-S298 WeakPolarHBondContact CA-O 3.28Å; L294-S298 WeakPolarHBondContact CD1-OG 3.41Å; L294-S298 PolarHBondContact N-O 2.88Å; D296-S298 PolarHBondContact O-N 3.31Å; D296-S298 VanDerWaalsContact OD1-CB 3.3Å; D296-S298 WeakPolarHBondContact OD1-CB 3.32Å; D296-S298 PolarHBondContact OD1-N 3.28Å; D296-S298 PolarHBondContact OD1-OG 3.39Å; S298-I312 CarbonylContact C-O 3.56Å; S298-I312 VanDerWaalsContact CA-O 3.27Å; S298-I312 WeakPolarHBondContact CA-O 3.45Å
299I94.3Very high91.7Very high0 Ų029 Ų290%015%0.149CC..EExtended strand (participates in β ladder)trans-126.3117.3173.6-52.8177.4000108L14 I15 P19 L28 C30 A291 V292 I312L14-I299 HydrophobicContact CB-CD1 4.19Å; I15-I299 HydrophobicContact CG2-CG1 4.49Å; P19-I299 HydrophobicContact CB-CD1 4.27Å; P19-I299 HydrophobicContact CG-CD1 4.47Å; L28-I299 HydrophobicContact CD2-CD1 4.21Å; L28-I299 HydrophobicContact CD2-CG2 3.94Å; C30-I299 WeakPolarHBondContact SG-CD1 3.32Å; A291-I299 HydrophobicContact CB-CG2 4.09Å; V292-I299 CarbonylContact O-C 3.59Å; V292-I299 WeakPolarHBondContact O-CA 3.21Å; I299-I312 HydrophobicContact CB-CB 4.46Å; I299-I312 PolarHBondContact N-O 3.18Å; I299-I312 PolarHBondContact O-N 2.83Å
300Q95Very high91.9Very high13 Ų1329.8 Ų29.86%0.06115%0.152CC..EExtended strand (participates in β ladder)trans-95.3125.9176.3-59-59.3-27.700109.7I274 A291 V292 L294 V302 I308 S311I274-Q300 HydrophobicContact CD1-CB 4.38Å; I274-Q300 HydrophobicContact CG1-CB 4.28Å; I274-Q300 HydrophobicContact CG1-CG 4.02Å; A291-Q300 CarbonylContact C-O 3.5Å; A291-Q300 WeakPolarHBondContact CA-O 3.26Å; V292-Q300 PolarHBondContact N-O 3.33Å; V292-Q300 PolarHBondContact O-N 3.2Å; L294-Q300 HydrophobicContact CD1-CG 3.65Å; L294-Q300 HydrophobicContact CG-CG 4.44Å; Q300-V302 HydrophobicContact CB-CG2 4.22Å; Q300-I308 HydrophobicContact CB-CG2 4.49Å; Q300-S311 PolarHBondContact NE2-OG 2.97Å; Q300-S311 VanDerWaalsContact OE1-CB 3.32Å
301L94.5Very high91.9Very high0 Ų031.9 Ų31.90%017%0.167CC..EExtended strand (participates in β ladder)trans-91.3117.4170.5-61.6-173.2000109.3F21 L28 A41 M289 A291 I308 V309 Q310F21-L301 HydrophobicContact CE1-CD2 4Å; F21-L301 HydrophobicContact CZ-CD2 3.86Å; L28-L301 HydrophobicContact CD2-CD2 4.28Å; A41-L301 HydrophobicContact CB-CD1 3.75Å; A41-L301 WeakPolarHBondContact O-CD1 3.41Å; M289-L301 HydrophobicContact CE-CB 3.72Å; A291-L301 HydrophobicContact CB-CD2 3.66Å; L301-I308 WeakPolarHBondContact O-CA 3.48Å; L301-V309 HydrophobicContact CB-CG2 4.22Å; L301-V309 WeakPolarHBondContact O-CG2 3.44Å; L301-V309 PolarHBondContact O-N 2.78Å; L301-Q310 HydrophobicContact CB-CB 4.09Å; L301-Q310 HydrophobicContact CD1-CB 4.04Å; L301-Q310 HydrophobicContact CD1-CG 4.36Å; L301-Q310 HydrophobicContact CG-CB 4.29Å; L301-Q310 PolarHBondContact N-O 2.91Å
302V94.4Very high91.7Very high0 Ų032.2 Ų32.20%017%0.169CC..EExtended strand (participates in β ladder)trans-119.3133.2-170.3-173.40000110.1L254 L271 I274 T290 V292 Q300 L306 K307 I308L254-V302 HydrophobicContact CD2-CB 4.5Å; L254-V302 HydrophobicContact CD2-CG1 4.16Å; L271-V302 HydrophobicContact CD2-CG1 3.75Å; L271-V302 HydrophobicContact CD2-CG2 4.06Å; I274-V302 HydrophobicContact CD1-CG2 4.25Å; T290-V302 PolarHBondContact N-O 2.93Å; T290-V302 PolarHBondContact O-N 2.86Å; V292-V302 HydrophobicContact CG2-CG2 4.06Å; Q300-V302 HydrophobicContact CB-CG2 4.22Å; V302-L306 HydrophobicContact CG1-CD2 4.32Å; V302-K307 WeakPolarHBondContact CA-O 3.3Å; V302-I308 HydrophobicContact CG2-CG1 4.29Å
303T91.5Very high91.3Very high30 Ų3035.3 Ų35.318%0.18418%0.183CC..  trans-77.3167.9176.357.60000112.4M289 M305 L306 K307 V309M289-T303 HydrophobicContact SD-CG2 3.84Å; T303-M305 PolarHBondContact O-N 2.82Å; T303-M305 VanDerWaalsContact O-N 3.16Å; T303-L306 PolarHBondContact O-N 2.81Å; T303-K307 PolarHBondContact N-O 2.79Å; T303-K307 WeakPolarHBondContact OG1-CB 3.08Å; T303-K307 PolarHBondContact OG1-N 3.2Å; T303-K307 VanDerWaalsContact OG1-N 3.14Å; T303-K307 PolarHBondContact OG1-O 2.77Å; T303-K307 VanDerWaalsContact OG1-O 3.12Å; T303-V309 HydrophobicContact CG2-CG1 3.49Å; T303-V309 VanDerWaalsContact CG2-CG1 3.49Å; T303-V309 HydrophobicContact CG2-CG2 4.31Å
304T86.4Confident90.9Very high33 Ų3336 Ų3620%0.20219%0.19CC..THydrogen-bonded Turntrans-57.5-25.9172.937.10000114.8K256 E288 L306K256-T304 PolarHBondContact NZ-O 2.92Å; E288-T304 HydrophobicContact CB-CG2 3.89Å; E288-T304 WeakPolarHBondContact O-CG2 3.44Å; T304-L306 VanDerWaalsContact C-N 3.26Å
305M89.1Confident90.7Very high149 Ų14936.1 Ų36.173%0.73419%0.191SC*.THydrogen-bonded Turntrans-88.815.7175.6-65.6-159.6-83.400113T303 K307T303-M305 PolarHBondContact O-N 2.82Å; T303-M305 VanDerWaalsContact O-N 3.16Å; M305-K307 VanDerWaalsContact C-N 3.32Å; M305-K307 PolarHBondContact O-N 2.89Å
306L91.7Very high90.7Very high18 Ų1834.2 Ų34.29%0.09418%0.181CC..SBendtrans59.637.7177.6-64.5-174.5000114Y246 L254 K256 D269 L271 V302 T303 T304Y246-L306 HydrophobicContact CE1-CD2 4.15Å; L254-L306 HydrophobicContact CD2-CD2 3.91Å; K256-L306 HydrophobicContact CB-CD1 4.26Å; K256-L306 HydrophobicContact CB-CD2 4.29Å; D269-L306 HydrophobicContact CB-CD1 3.45Å; D269-L306 VanDerWaalsContact CB-CD1 3.45Å; D269-L306 HydrophobicContact CB-CG 4.49Å; L271-L306 HydrophobicContact CB-CB 4.17Å; L271-L306 HydrophobicContact CB-CD1 4.39Å; L271-L306 HydrophobicContact CB-CD2 4.41Å; L271-L306 WeakPolarHBondContact CD1-O 3.24Å; V302-L306 HydrophobicContact CG1-CD2 4.32Å; T303-L306 PolarHBondContact O-N 2.81Å; T304-L306 VanDerWaalsContact C-N 3.26Å
307K92.9Very high90.4Very high137 Ų13734.2 Ų34.260%0.59618%0.181SC*.  trans-106.7130.1170.3-61.8-175.2178.1-177.30110.6V302 T303 M305V302-K307 WeakPolarHBondContact CA-O 3.3Å; T303-K307 PolarHBondContact N-O 2.79Å; T303-K307 WeakPolarHBondContact OG1-CB 3.08Å; T303-K307 PolarHBondContact OG1-N 3.2Å; T303-K307 VanDerWaalsContact OG1-N 3.14Å; T303-K307 PolarHBondContact OG1-O 2.77Å; T303-K307 VanDerWaalsContact OG1-O 3.12Å; M305-K307 VanDerWaalsContact C-N 3.32Å; M305-K307 PolarHBondContact O-N 2.89Å
308I93Very high89.7Confident73 Ų7334.8 Ų34.837%0.37418%0.183SC..EExtended strand (participates in β ladder)trans-70.7124.7169.5-57.3173.9000107.7L271 I274 Q300 L301 V302L271-I308 HydrophobicContact CD2-CD1 4.49Å; L271-I308 HydrophobicContact CD2-CG1 3.98Å; I274-I308 HydrophobicContact CG1-CD1 4.24Å; Q300-I308 HydrophobicContact CB-CG2 4.49Å; L301-I308 WeakPolarHBondContact O-CA 3.48Å; V302-I308 HydrophobicContact CG2-CG1 4.29Å
309V92.7Very high88.3Confident79 Ų7938.7 Ų38.748%0.47921%0.208SC..EExtended strand (participates in β ladder)trans-111.6-25.9178.1-67.50000112.9M289 L301 T303M289-V309 HydrophobicContact CE-CG2 3.17Å; M289-V309 HydrophobicContact SD-CG2 4.17Å; L301-V309 HydrophobicContact CB-CG2 4.22Å; L301-V309 WeakPolarHBondContact O-CG2 3.44Å; L301-V309 PolarHBondContact O-N 2.78Å; T303-V309 HydrophobicContact CG2-CG1 3.49Å; T303-V309 VanDerWaalsContact CG2-CG1 3.49Å; T303-V309 HydrophobicContact CG2-CG2 4.31Å
310Q92.8Very high86.7Confident45 Ų4542.5 Ų42.521%0.2123%0.232CC..EExtended strand (participates in β ladder)trans-148.8147.1178.4-174.758.836.700109.8H42 T43 L301H42-Q310 PolarHBondContact O-OE1 3.49Å; T43-Q310 PolarHBondContact O-NE2 2.97Å; L301-Q310 HydrophobicContact CB-CB 4.09Å; L301-Q310 HydrophobicContact CD1-CB 4.04Å; L301-Q310 HydrophobicContact CD1-CG 4.36Å; L301-Q310 HydrophobicContact CG-CB 4.29Å; L301-Q310 PolarHBondContact N-O 2.91Å
311S91Very high84.9Confident45 Ų4544.1 Ų44.132%0.31524%0.244SC..EExtended strand (participates in β ladder)trans-125128.1173.6179.90000108.7Q300Q300-S311 PolarHBondContact NE2-OG 2.97Å; Q300-S311 VanDerWaalsContact OE1-CB 3.32Å
312I90.6Very high83.1Confident7 Ų744.6 Ų44.64%0.03625%0.248CC..EExtended strand (participates in β ladder)trans-109.1117.6169.5-59.4165.5000106L14 L28 Y39 S298 I299L14-I312 HydrophobicContact CD1-CG2 4.02Å; L28-I312 HydrophobicContact CD2-CD1 3.85Å; Y39-I312 HydrophobicContact CD1-CD1 4.29Å; Y39-I312 HydrophobicContact CD1-CG2 3.81Å; Y39-I312 HydrophobicContact CE1-CG2 3.73Å; Y39-I312 HydrophobicContact CG-CD1 3.94Å; Y39-I312 HydrophobicContact CG-CG2 4.25Å; S298-I312 CarbonylContact C-O 3.56Å; S298-I312 VanDerWaalsContact CA-O 3.27Å; S298-I312 WeakPolarHBondContact CA-O 3.45Å; I299-I312 HydrophobicContact CB-CB 4.46Å; I299-I312 PolarHBondContact N-O 3.18Å; I299-I312 PolarHBondContact O-N 2.83Å
313Q86.7Confident81.2Confident64 Ų6449.4 Ų49.430%0.29928%0.277SS..EExtended strand (participates in β ladder)trans-122.9123-173.4175.6168.63.600110.2
314G86.4Confident79.3Confident15 Ų1551.6 Ų51.616%0.15529%0.285CS..  trans-82.7-162.916400000111.2N297 A316N297-G314 PolarHBondContact O-N 3.02Å; G314-A316 PolarHBondContact O-N 2.76Å; G314-A316 VanDerWaalsContact O-N 3.12Å
315I87.8Confident77.6Confident3 Ų355.1 Ų55.12%0.01530%0.299CS..  trans-68.4113171.3-63.9177000108G11 N297 L317 F354 Y364 F661 Q665G11-I315 VanDerWaalsContact CA-CD1 3.44Å; N297-I315 WeakPolarHBondContact CB-O 3.49Å; N297-I315 PolarHBondContact ND2-N 3.41Å; N297-I315 PolarHBondContact ND2-O 3.36Å; N297-I315 VanDerWaalsContact ND2-O 3.08Å; I315-L317 HydrophobicContact CG2-CD2 4.11Å; I315-L317 HydrophobicContact CG2-CG 4.38Å; I315-F354 HydrophobicContact CD1-CZ 4.32Å; I315-F354 HydrophobicContact CG2-CE2 3.61Å; I315-F354 HydrophobicContact CG2-CZ 3.95Å; I315-Y364 HydrophobicContact CD1-CD2 4.12Å; I315-Y364 HydrophobicContact CD1-CE2 3.69Å; I315-Y364 HydrophobicContact CG1-CD2 3.97Å; I315-Y364 HydrophobicContact CG1-CE2 3.7Å; I315-F661 HydrophobicContact CD1-CE2 3.81Å; I315-F661 HydrophobicContact CG2-CE2 4.22Å; I315-F661 HydrophobicContact CG2-CZ 4.01Å; I315-Q665 PolarHBondContact O-OE1 3.45Å
316A86.9Confident75.6Confident0 Ų052 Ų520%029%0.285CS..  trans-87.1127.617800000109.3D296 G314 G356 R357 Q362D296-A316 HydrophobicContact CB-CB 4.22Å; D296-A316 VanDerWaalsContact O-CA 3.23Å; D296-A316 WeakPolarHBondContact O-CA 3.24Å; D296-A316 WeakPolarHBondContact O-CB 3.47Å; G314-A316 PolarHBondContact O-N 2.76Å; G314-A316 VanDerWaalsContact O-N 3.12Å; A316-G356 CarbonylContact O-C 3.57Å; A316-G356 VanDerWaalsContact O-CA 3.29Å; A316-G356 WeakPolarHBondContact O-CA 3.41Å; A316-R357 HydrophobicContact CB-CG 4.22Å; A316-Q362 VanDerWaalsContact CB-NE2 3.31Å; A316-Q362 PolarHBondContact O-NE2 3.38Å; A316-Q362 PolarHBondContact O-OE1 3.21Å
317L80.3Confident73.5Confident8 Ų853.9 Ų53.94%0.04231%0.31CS..  trans-119.5158.2173.9-62-177.6000109.7I315 P331 L332 N355 G356 F661 Q665I315-L317 HydrophobicContact CG2-CD2 4.11Å; I315-L317 HydrophobicContact CG2-CG 4.38Å; L317-P331 HydrophobicContact CD1-CB 4.11Å; L317-P331 HydrophobicContact CD1-CG 4.5Å; L317-L332 HydrophobicContact CD2-CD2 3.76Å; L317-N355 WeakPolarHBondContact CD2-O 3.48Å; L317-G356 CarbonylContact C-O 3.54Å; L317-G356 WeakPolarHBondContact CA-O 3.45Å; L317-F661 HydrophobicContact CD1-CE1 3.68Å; L317-F661 HydrophobicContact CD1-CZ 3.89Å; L317-F661 HydrophobicContact CD2-CE1 4.27Å; L317-F661 HydrophobicContact CD2-CZ 4.24Å; L317-F661 HydrophobicContact CG-CZ 4.41Å; L317-Q665 HydrophobicContact CD1-CB 4.49Å; L317-Q665 HydrophobicContact CD1-CG 3.57Å; L317-Q665 HydrophobicContact CG-CG 4.18Å
318R75.6Confident71.7Confident11 Ų1149.5 Ų49.54%0.04230%0.299CS..  trans-61.6149.516966.5169-178.7-76.4-25.8112.3T320 C322 T330 P331 G356 P358 D395R318-T320 WeakPolarHBondContact CD-O 3.3Å; R318-T320 WeakPolarHBondContact CG-O 3.38Å; R318-T320 PolarHBondContact NE-O 2.85Å; R318-C322 PolarHBondContact NH2-SG 2.81Å; R318-T330 PolarHBondContact NH2-O 3.23Å; R318-P331 PolarHBondContact NH1-O 2.91Å; R318-P331 PolarHBondContact NH2-O 2.8Å; R318-G356 PolarHBondContact N-O 3.46Å; R318-P358 HydrophobicContact CB-CB 4.46Å; R318-P358 HydrophobicContact CB-CG 3.82Å; R318-D395 WeakPolarHBondContact CD-OD2 3.5Å; R318-D395 IonicContact CZ-OD2 3.64Å; R318-D395 IonicContact NE-OD2 3.27Å; R318-D395 PolarHBondContact NE-OD2 3.09Å; R318-D395 IonicContact NH1-OD2 3.27Å; R318-D395 PolarHBondContact NH1-OD2 2.87Å
319P60.8Low70.4Confident83 Ų8350.5 Ų50.554%0.53930%0.304SS..SBendtrans-71-35.1-179.3-1629.8000113.2
320T60.8Low69.7Low80 Ų8047 Ų4749%0.49128%0.283SS..SBendtrans-101.6114.8-174.141.80000110.8R318 C322R318-T320 WeakPolarHBondContact CD-O 3.3Å; R318-T320 WeakPolarHBondContact CG-O 3.38Å; R318-T320 PolarHBondContact NE-O 2.85Å; T320-C322 PolarHBondContact O-N 3.22Å
321S58Low69Low46 Ų4645.3 Ų45.332%0.32228%0.276SS..  trans-60.3136.4167.9-64.20000109.7L329 T330S321-L329 VanDerWaalsContact O-CD2 3.26Å; S321-L329 WeakPolarHBondContact O-CD2 3.22Å; S321-T330 CarbonylContact C-O 3.37Å; S321-T330 VanDerWaalsContact CA-O 3.24Å; S321-T330 WeakPolarHBondContact CA-O 3.38Å; S321-T330 WeakPolarHBondContact CB-O 3.17Å
322C55.5Low68.8Low11 Ų1143.3 Ų43.37%0.07426%0.262CS..EExtended strand (participates in β ladder)trans-87.7146.5174.759.60000108.8R318 T320 E324 L329 T330 P333R318-C322 PolarHBondContact NH2-SG 2.81Å; T320-C322 PolarHBondContact O-N 3.22Å; C322-E324 PolarHBondContact O-N 3.37Å; C322-L329 WeakPolarHBondContact O-CA 3.27Å; C322-T330 PolarHBondContact N-O 3.4Å; C322-T330 PolarHBondContact O-N 3.05Å; C322-T330 VanDerWaalsContact SG-CG2 3.54Å; C322-T330 PolarHBondContact SG-O 3.12Å; C322-P333 VanDerWaalsContact SG-CB 3.51Å; C322-P333 VanDerWaalsContact SG-CD 3.6Å; C322-P333 VanDerWaalsContact SG-CG 3.6Å
323V54.2Low68.6Low101 Ų10144.8 Ų44.861%0.61227%0.272SS*.EExtended strand (participates in β ladder)trans-70.6111.5171.4-179.90000106.5L329V323-L329 HydrophobicContact CG2-CD2 3.94Å
324E51.5Low68.7Low76 Ų7642.2 Ų42.236%0.35526%0.262SS..  trans-57.3156.5162.1-67.6-174.1171.800108.1C322 D326 G327 A328 T330C322-E324 PolarHBondContact O-N 3.37Å; E324-D326 PolarHBondContact O-N 2.98Å; E324-G327 PolarHBondContact O-N 2.81Å; E324-A328 PolarHBondContact N-O 2.77Å; E324-T330 HydrophobicContact CG-CG2 3.39Å; E324-T330 WeakPolarHBondContact OE1-CB 3.26Å; E324-T330 VanDerWaalsContact OE1-CG2 3.31Å; E324-T330 WeakPolarHBondContact OE1-CG2 3.46Å
325Q50.4Low68.9Low107 Ų10742.5 Ų42.550%0.526%0.264SS..THydrogen-bonded Turntrans-51.6-0.5-175.3-66.1-175.4-12.600115.7
326D47.5Very low69.1Low82 Ų8243.1 Ų43.144%0.43927%0.268SS..THydrogen-bonded Turntrans-143.417.8-164.3-99.2-54.1000114.1E324 R560E324-D326 PolarHBondContact O-N 2.98Å; D326-R560 IonicContact OD1-CZ 2.73Å; D326-R560 IonicContact OD1-NE 2.76Å; D326-R560 IonicContact OD1-NH2 3.32Å; D326-R560 PolarHBondContact OD1-NH2 2.88Å; D326-R560 WeakPolarHBondContact OD2-CD 3.34Å; D326-R560 IonicContact OD2-CZ 3.71Å; D326-R560 VanDerWaalsContact OD2-CZ 3.3Å; D326-R560 IonicContact OD2-NE 2.69Å; D326-R560 PolarHBondContact OD2-NE 3.46Å; D326-R560 IonicContact OD2-NH2 4Å; D326-R560 PolarHBondContact OD2-NH2 2.7Å
327G47.5Very low69.4Low59 Ų5944.4 Ų44.461%0.60828%0.275SS*.SBendtrans92.9-6.7162.800000116.6E324E324-G327 PolarHBondContact O-N 2.81Å
328A55.7Low69.9Low45 Ų4545.6 Ų45.637%0.37228%0.282SS..  trans-84.2125.2173.200000110.5E324 T330E324-A328 PolarHBondContact N-O 2.77Å; A328-T330 PolarHBondContact O-N 3.43Å
329L66.6Low70.3Confident93 Ų9345.1 Ų45.149%0.48728%0.28SS..EExtended strand (participates in β ladder)trans-73.8113.3173.1-77.6163000109.7S321 C322 V323S321-L329 VanDerWaalsContact O-CD2 3.26Å; S321-L329 WeakPolarHBondContact O-CD2 3.22Å; C322-L329 WeakPolarHBondContact O-CA 3.27Å; V323-L329 HydrophobicContact CG2-CD2 3.94Å
330T76.2Confident71.2Confident6 Ų645.3 Ų45.34%0.03728%0.276CS..EExtended strand (participates in β ladder)trans-111.9140.2175.5-173.30000111.4R318 S321 C322 E324 A328 L332 P333 V640R318-T330 PolarHBondContact NH2-O 3.23Å; S321-T330 CarbonylContact C-O 3.37Å; S321-T330 VanDerWaalsContact CA-O 3.24Å; S321-T330 WeakPolarHBondContact CA-O 3.38Å; S321-T330 WeakPolarHBondContact CB-O 3.17Å; C322-T330 PolarHBondContact N-O 3.4Å; C322-T330 PolarHBondContact O-N 3.05Å; C322-T330 VanDerWaalsContact SG-CG2 3.54Å; C322-T330 PolarHBondContact SG-O 3.12Å; E324-T330 HydrophobicContact CG-CG2 3.39Å; E324-T330 WeakPolarHBondContact OE1-CB 3.26Å; E324-T330 VanDerWaalsContact OE1-CG2 3.31Å; E324-T330 WeakPolarHBondContact OE1-CG2 3.46Å; A328-T330 PolarHBondContact O-N 3.43Å; T330-L332 VanDerWaalsContact C-N 3.31Å; T330-L332 PolarHBondContact OG1-N 3.4Å; T330-L332 VanDerWaalsContact OG1-N 3.09Å; T330-P333 HydrophobicContact CG2-CB 4.4Å; T330-V640 WeakPolarHBondContact OG1-CG1 3.3Å
331P79.1Confident71.7Confident10 Ų1041.5 Ų41.57%0.06525%0.252CS..SBendtrans-80.1-6.9164.931.8-35.2000113.5L317 R318 V640L317-P331 HydrophobicContact CD1-CB 4.11Å; L317-P331 HydrophobicContact CD1-CG 4.5Å; R318-P331 PolarHBondContact NH1-O 2.91Å; R318-P331 PolarHBondContact NH2-O 2.8Å; P331-V640 HydrophobicContact CG-CG1 3.88Å; P331-V640 HydrophobicContact CG-CG2 4.14Å
332L87.2Confident71.9Confident3 Ų340.1 Ų40.12%0.01625%0.246CC..  trans-133.773.2-176.1-62.8-178.5000113.2L317 T330 A334 G335 L336 F354 N355 V640 A641 F661L317-L332 HydrophobicContact CD2-CD2 3.76Å; T330-L332 VanDerWaalsContact C-N 3.31Å; T330-L332 PolarHBondContact OG1-N 3.4Å; T330-L332 VanDerWaalsContact OG1-N 3.09Å; L332-A334 VanDerWaalsContact C-N 3.29Å; L332-A334 PolarHBondContact O-N 2.69Å; L332-G335 PolarHBondContact O-N 2.86Å; L332-L336 HydrophobicContact CD1-CD2 4.07Å; L332-F354 HydrophobicContact CD2-CB 4.17Å; L332-F354 HydrophobicContact CD2-CD2 4.06Å; L332-N355 HydrophobicContact CD2-CB 3.84Å; L332-V640 HydrophobicContact CB-CG1 4.12Å; L332-V640 HydrophobicContact CD1-CG1 4.44Å; L332-V640 HydrophobicContact CG-CG1 4.35Å; L332-A641 HydrophobicContact CD1-CB 4.03Å; L332-F661 HydrophobicContact CD1-CB 4.29Å; L332-F661 HydrophobicContact CD1-CD1 3.38Å; L332-F661 HydrophobicContact CD1-CE1 3.85Å; L332-F661 HydrophobicContact CD1-CG 4.04Å; L332-F661 HydrophobicContact CG-CD1 4.28Å; L332-F661 HydrophobicContact CG-CE1 4.38Å
333P85.9Confident72.3Confident37 Ų3739.6 Ų39.624%0.2424%0.242CC..THydrogen-bonded Turntrans-63.1-35.6179.824.1-35.8000112C322 T330 G335 N355 V396 S397C322-P333 VanDerWaalsContact SG-CB 3.51Å; C322-P333 VanDerWaalsContact SG-CD 3.6Å; C322-P333 VanDerWaalsContact SG-CG 3.6Å; T330-P333 HydrophobicContact CG2-CB 4.4Å; P333-G335 PolarHBondContact O-N 3.06Å; P333-N355 VanDerWaalsContact CD-OD1 3.22Å; P333-N355 WeakPolarHBondContact CD-OD1 3.48Å; P333-V396 VanDerWaalsContact CG-O 3.27Å; P333-V396 WeakPolarHBondContact CG-O 3.49Å; P333-S397 CarbonylContact C-O 3.52Å; P333-S397 VanDerWaalsContact C-O 3.24Å; P333-S397 VanDerWaalsContact O-O 3.09Å
334A89.2Confident72.6Confident11 Ų1136 Ų369%0.09122%0.222CC..THydrogen-bonded Turntrans-75.5-5.7176.300000112.6L332 N355 V396 S397 V399L332-A334 VanDerWaalsContact C-N 3.29Å; L332-A334 PolarHBondContact O-N 2.69Å; A334-N355 VanDerWaalsContact CB-OD1 3.26Å; A334-N355 WeakPolarHBondContact CB-OD1 3.28Å; A334-N355 PolarHBondContact N-OD1 2.96Å; A334-V396 HydrophobicContact CB-CG1 4.44Å; A334-S397 PolarHBondContact N-O 2.81Å; A334-V399 HydrophobicContact CB-CB 4.3Å; A334-V399 HydrophobicContact CB-CG1 3.97Å
335G89.6Confident73.1Confident20 Ų2038.5 Ų38.521%0.20623%0.231CC..  trans68.5-158.2-178.600000113.4L332 P333 F354L332-G335 PolarHBondContact O-N 2.86Å; P333-G335 PolarHBondContact O-N 3.06Å; G335-F354 VanDerWaalsContact O-CB 3.32Å; G335-F354 WeakPolarHBondContact O-CB 3.28Å
336L92.3Very high73.4Confident17 Ų1737.4 Ų37.49%0.08924%0.235CC..  trans-105.7128.7169.4-62.6178.1000108.2L332 F354 A641 I643 F661L332-L336 HydrophobicContact CD1-CD2 4.07Å; L336-F354 HydrophobicContact CD2-CB 3.73Å; L336-F354 HydrophobicContact CD2-CD1 3.69Å; L336-F354 HydrophobicContact CD2-CG 3.89Å; L336-A641 HydrophobicContact CD1-CB 4.19Å; L336-A641 HydrophobicContact CG-CB 3.71Å; L336-I643 HydrophobicContact CB-CB 4.17Å; L336-I643 HydrophobicContact CB-CG2 4.02Å; L336-I643 HydrophobicContact CD1-CG2 3.98Å; L336-F661 HydrophobicContact CD1-CB 4.17Å; L336-F661 HydrophobicContact CD2-CB 4.44Å
337T92.8Very high73.8Confident26 Ų2636.5 Ų36.516%0.1623%0.23CC..EExtended strand (participates in β ladder)trans-121.9136.2173.2-680000109.6L352 I353 V399 V401T337-L352 CarbonylContact O-C 3.54Å; T337-L352 WeakPolarHBondContact O-CA 3.43Å; T337-I353 PolarHBondContact N-O 3.48Å; T337-I353 PolarHBondContact O-N 2.96Å; T337-V399 WeakPolarHBondContact OG1-CG1 3.17Å; T337-V401 HydrophobicContact CG2-CB 4.19Å; T337-V401 HydrophobicContact CG2-CG2 3.88Å
338L90.5Very high74.4Confident34 Ų3441.8 Ų41.818%0.17824%0.239CC..EExtended strand (participates in β ladder)trans-77.9127.7172.7-178.964.6000108.7I340 P350 L352 I643 V645L338-I340 HydrophobicContact CB-CG2 4.45Å; L338-I340 HydrophobicContact CD2-CG2 4.02Å; L338-I340 HydrophobicContact CG-CG2 4.02Å; L338-I340 PolarHBondContact O-N 3.19Å; L338-I340 VanDerWaalsContact O-N 3.14Å; L338-P350 HydrophobicContact CD1-CB 3.67Å; L338-L352 HydrophobicContact CD1-CD2 4.1Å; L338-I643 HydrophobicContact CB-CD1 3.75Å; L338-I643 VanDerWaalsContact N-CD1 3.3Å; L338-V645 HydrophobicContact CD1-CG1 4.23Å; L338-V645 HydrophobicContact CD1-CG2 4.36Å
339D85Confident74.8Confident1 Ų142 Ų421%0.00524%0.237CC..  trans-67.6112.6167.5177.633.6000109T341 L343 S344 V351 I353D339-T341 WeakPolarHBondContact OD1-CB 3.32Å; D339-T341 VanDerWaalsContact OD1-CG2 3.3Å; D339-T341 WeakPolarHBondContact OD1-CG2 3.1Å; D339-T341 PolarHBondContact OD1-N 2.92Å; D339-T341 PolarHBondContact OD1-OG1 3.01Å; D339-T341 PolarHBondContact OD2-OG1 3.19Å; D339-L343 WeakPolarHBondContact OD2-CB 3.47Å; D339-L343 WeakPolarHBondContact OD2-CD2 3.46Å; D339-S344 WeakPolarHBondContact O-CB 3.32Å; D339-S344 PolarHBondContact O-OG 3.02Å; D339-S344 WeakPolarHBondContact OD2-CB 3.48Å; D339-S344 PolarHBondContact OD2-N 3.45Å; D339-V351 HydrophobicContact CB-CB 4.04Å; D339-V351 HydrophobicContact CB-CG1 4.36Å; D339-V351 WeakPolarHBondContact CB-O 3.28Å; D339-V351 PolarHBondContact N-O 2.7Å; D339-I353 HydrophobicContact CB-CD1 3.88Å; D339-I353 HydrophobicContact CB-CG1 4.1Å
340I79.8Confident75.5Confident86 Ų8639 Ų3944%0.44122%0.223SC..  trans-10910.6173.959.5170.5000111.7L338 V401L338-I340 HydrophobicContact CB-CG2 4.45Å; L338-I340 HydrophobicContact CD2-CG2 4.02Å; L338-I340 HydrophobicContact CG-CG2 4.02Å; L338-I340 PolarHBondContact O-N 3.19Å; L338-I340 VanDerWaalsContact O-N 3.14Å; I340-V401 HydrophobicContact CG1-CG1 3.89Å
341T72.1Confident76.1Confident0 Ų038.8 Ų38.80%022%0.221CC..SBendtrans-75.5-178.4178.9730000112.4D339 L343 S344 K345 V401 D403 F435D339-T341 WeakPolarHBondContact OD1-CB 3.32Å; D339-T341 VanDerWaalsContact OD1-CG2 3.3Å; D339-T341 WeakPolarHBondContact OD1-CG2 3.1Å; D339-T341 PolarHBondContact OD1-N 2.92Å; D339-T341 PolarHBondContact OD1-OG1 3.01Å; D339-T341 PolarHBondContact OD2-OG1 3.19Å; T341-L343 PolarHBondContact O-N 2.71Å; T341-L343 VanDerWaalsContact O-N 3.11Å; T341-L343 PolarHBondContact OG1-N 3.46Å; T341-S344 PolarHBondContact O-N 2.79Å; T341-K345 PolarHBondContact O-N 2.85Å; T341-V401 HydrophobicContact CG2-CG1 3.34Å; T341-D403 WeakPolarHBondContact CA-O 3.06Å; T341-F435 HydrophobicContact CG2-CE1 4.04Å; T341-F435 HydrophobicContact CG2-CZ 3.73Å
342G60.6Low76.7Confident18 Ų1838.3 Ų38.319%0.18622%0.218CC..Hα-helixtrans-55.8-23.317500000113.8K345 S346G342-K345 PolarHBondContact O-N 3.45Å; G342-S346 PolarHBondContact O-N 3.18Å
343L64.9Low77Confident0 Ų038.1 Ų38.10%022%0.217CC..Hα-helixtrans-66.6-56.2180-169.7130.6000111.4D339 T341 K345 S346 L347 V351 F373 Y428 V433D339-L343 WeakPolarHBondContact OD2-CB 3.47Å; D339-L343 WeakPolarHBondContact OD2-CD2 3.46Å; T341-L343 PolarHBondContact O-N 2.71Å; T341-L343 VanDerWaalsContact O-N 3.11Å; T341-L343 PolarHBondContact OG1-N 3.46Å; L343-K345 PolarHBondContact O-N 2.74Å; L343-S346 PolarHBondContact O-N 2.79Å; L343-S346 PolarHBondContact O-OG 2.91Å; L343-L347 HydrophobicContact CD2-CD1 3.8Å; L343-L347 HydrophobicContact CG-CD1 3.75Å; L343-L347 PolarHBondContact O-N 3.48Å; L343-V351 HydrophobicContact CD2-CB 4.43Å; L343-V351 HydrophobicContact CD2-CG1 4.35Å; L343-V351 HydrophobicContact CD2-CG2 4.12Å; L343-F373 HydrophobicContact CD1-CE1 3.7Å; L343-F373 HydrophobicContact CD1-CZ 4.26Å; L343-F373 HydrophobicContact CD2-CE1 4.35Å; L343-Y428 HydrophobicContact CB-CE1 4.38Å; L343-Y428 HydrophobicContact CB-CE2 3.77Å; L343-Y428 WeakPolarHBondContact CB-OH 3.31Å; L343-Y428 HydrophobicContact CD1-CE2 3.69Å; L343-Y428 HydrophobicContact CG-CE2 4.36Å; L343-V433 HydrophobicContact CD1-CG1 3.53Å; L343-V433 HydrophobicContact CG-CG1 4.43Å
344S60.6Low77.3Confident26 Ų2636.4 Ų36.418%0.18221%0.206CC..Hα-helixtrans-62.9-22.7175-173.10000114.5D339 T341 S346 L347D339-S344 WeakPolarHBondContact O-CB 3.32Å; D339-S344 PolarHBondContact O-OG 3.02Å; D339-S344 WeakPolarHBondContact OD2-CB 3.48Å; D339-S344 PolarHBondContact OD2-N 3.45Å; T341-S344 PolarHBondContact O-N 2.79Å; S344-S346 VanDerWaalsContact C-N 3.3Å; S344-L347 CarbonylContact O-C 3.56Å
345K61.8Low77.5Confident128 Ų12835.9 Ų35.956%0.55720%0.202SC*.Hα-helixtrans-70.3-30.5171.9-70178.8-177.1168.80112.3T341 G342 L343T341-K345 PolarHBondContact O-N 2.85Å; G342-K345 PolarHBondContact O-N 3.45Å; L343-K345 PolarHBondContact O-N 2.74Å
346S56.1Low77.4Confident83 Ų8335 Ų3558%0.5819%0.192SC*.Hα-helixtrans-85.3-32.3179.271.70000112.8G342 L343 S344G342-S346 PolarHBondContact O-N 3.18Å; L343-S346 PolarHBondContact O-N 2.79Å; L343-S346 PolarHBondContact O-OG 2.91Å; S344-S346 VanDerWaalsContact C-N 3.3Å
347L57.2Low77.1Confident63 Ų6336.5 Ų36.533%0.3320%0.197SC..SBendtrans-98.792.8176.1-74.3129.9000108.5L343 S344 P349L343-L347 HydrophobicContact CD2-CD1 3.8Å; L343-L347 HydrophobicContact CG-CD1 3.75Å; L343-L347 PolarHBondContact O-N 3.48Å; S344-L347 CarbonylContact O-C 3.56Å; L347-P349 CarbonylContact O-C 3.59Å; L347-P349 VanDerWaalsContact O-O 3.09Å
348Q59.6Low76.6Confident170 Ų17036.2 Ų36.279%0.79420%0.195SC*.SBendtrans-75.4110.7157.5-79-168.5-1400106.7
349P63.6Low76.4Confident50 Ų5034.6 Ų34.633%0.32519%0.187SC..SBendcis-127.2-173.225.642.6-24.3000113.5L347 A367L347-P349 CarbonylContact O-C 3.59Å; L347-P349 VanDerWaalsContact O-O 3.09Å; P349-A367 HydrophobicContact CB-CB 4.49Å; P349-A367 HydrophobicContact CG-CB 3Å
350P81Confident76.6Confident31 Ų3136.2 Ų36.220%0.20119%0.194CC..  trans-65.8148.3-152.921.7-26.2000114.6L338 L366 V645L338-P350 HydrophobicContact CD1-CB 3.67Å; P350-L366 HydrophobicContact CG-CD1 4.22Å; P350-L366 PolarHBondContact O-N 2.88Å; P350-L366 VanDerWaalsContact O-N 3.11Å; P350-V645 HydrophobicContact CB-CG1 3.99Å; P350-V645 HydrophobicContact CG-CG1 3.52Å
351V88.5Confident77.3Confident0 Ų032.1 Ų32.10%017%0.173CC..EExtended strand (participates in β ladder)trans-107.7131.4-179.8178.50000109.6D339 L343 F363 Y364 V372D339-V351 HydrophobicContact CB-CB 4.04Å; D339-V351 HydrophobicContact CB-CG1 4.36Å; D339-V351 WeakPolarHBondContact CB-O 3.28Å; D339-V351 PolarHBondContact N-O 2.7Å; L343-V351 HydrophobicContact CD2-CB 4.43Å; L343-V351 HydrophobicContact CD2-CG1 4.35Å; L343-V351 HydrophobicContact CD2-CG2 4.12Å; V351-F363 HydrophobicContact CG1-CB 3.89Å; V351-F363 HydrophobicContact CG1-CD1 4.06Å; V351-F363 HydrophobicContact CG1-CG 4.48Å; V351-Y364 CarbonylContact C-O 3.55Å; V351-Y364 WeakPolarHBondContact CA-O 3.29Å; V351-V372 HydrophobicContact CG1-CG2 4.5Å; V351-V372 HydrophobicContact CG2-CG2 4.39Å
352L91.8Very high78.3Confident0 Ų032.1 Ų32.10%017%0.173CC..EExtended strand (participates in β ladder)trans-96.9145.1172.4-64-176.1000110.6T337 L338 F354 F363 Y364 L366 I643 V645 M667T337-L352 CarbonylContact O-C 3.54Å; T337-L352 WeakPolarHBondContact O-CA 3.43Å; L338-L352 HydrophobicContact CD1-CD2 4.1Å; L352-F354 HydrophobicContact CB-CD1 4.1Å; L352-F354 HydrophobicContact CB-CE1 4.21Å; L352-F363 CarbonylContact O-C 3.42Å; L352-F363 WeakPolarHBondContact O-CA 3.36Å; L352-Y364 PolarHBondContact N-O 2.89Å; L352-Y364 PolarHBondContact O-N 2.95Å; L352-L366 HydrophobicContact CD1-CD1 4.02Å; L352-L366 HydrophobicContact CD1-CD2 3.8Å; L352-L366 HydrophobicContact CD1-CG 4.14Å; L352-L366 HydrophobicContact CD2-CD1 4.23Å; L352-L366 HydrophobicContact CG-CD1 3.86Å; L352-L366 HydrophobicContact CG-CD2 4.27Å; L352-L366 HydrophobicContact CG-CG 4.06Å; L352-I643 HydrophobicContact CD1-CG2 4.45Å; L352-I643 HydrophobicContact CD2-CD1 4.49Å; L352-I643 HydrophobicContact CD2-CG2 4Å; L352-V645 HydrophobicContact CD2-CG2 4.27Å; L352-M667 HydrophobicContact CD1-CE 3.75Å; L352-M667 HydrophobicContact CD1-SD 4.16Å
353I93.6Very high79.7Confident0 Ų031.2 Ų31.20%017%0.165CC..EExtended strand (participates in β ladder)trans-114.6126.4175.6-53.6168.8000107.9T337 D339 L361 Q362 F363 V399 V401T337-I353 PolarHBondContact N-O 3.48Å; T337-I353 PolarHBondContact O-N 2.96Å; D339-I353 HydrophobicContact CB-CD1 3.88Å; D339-I353 HydrophobicContact CB-CG1 4.1Å; I353-L361 HydrophobicContact CG2-CB 4.32Å; I353-L361 HydrophobicContact CG2-CD1 4.06Å; I353-Q362 WeakPolarHBondContact CA-O 3.31Å; I353-F363 HydrophobicContact CD1-CD1 4.19Å; I353-F363 HydrophobicContact CD1-CE1 3.5Å; I353-F363 HydrophobicContact CD1-CZ 3.98Å; I353-F363 HydrophobicContact CG1-CD1 3.72Å; I353-F363 HydrophobicContact CG1-CE1 3.52Å; I353-F363 HydrophobicContact CG1-CG 4.43Å; I353-F363 HydrophobicContact CG1-CZ 4.06Å; I353-F363 HydrophobicContact CG2-CZ 4.35Å; I353-V399 HydrophobicContact CG2-CG2 4.31Å; I353-V401 HydrophobicContact CD1-CG2 3.72Å
354F93.5Very high80.9Confident0 Ų031.4 Ų31.40%017%0.165CC..EExtended strand (participates in β ladder)trans-157.4172.2176.154.3-97.6000111.3I315 L332 G335 L336 L352 G356 L361 Q362 Y364 M667I315-F354 HydrophobicContact CD1-CZ 4.32Å; I315-F354 HydrophobicContact CG2-CE2 3.61Å; I315-F354 HydrophobicContact CG2-CZ 3.95Å; L332-F354 HydrophobicContact CD2-CB 4.17Å; L332-F354 HydrophobicContact CD2-CD2 4.06Å; G335-F354 VanDerWaalsContact O-CB 3.32Å; G335-F354 WeakPolarHBondContact O-CB 3.28Å; L336-F354 HydrophobicContact CD2-CB 3.73Å; L336-F354 HydrophobicContact CD2-CD1 3.69Å; L336-F354 HydrophobicContact CD2-CG 3.89Å; L352-F354 HydrophobicContact CB-CD1 4.1Å; L352-F354 HydrophobicContact CB-CE1 4.21Å; F354-G356 PolarHBondContact O-N 2.82Å; F354-L361 WeakPolarHBondContact O-CA 3.32Å; F354-Q362 HydrophobicContact CD2-CB 4.32Å; F354-Q362 HydrophobicContact CE2-CB 3.99Å; F354-Q362 HydrophobicContact CZ-CB 4.4Å; F354-Q362 PolarHBondContact N-O 3.41Å; F354-Q362 VanDerWaalsContact N-O 3.17Å; F354-Q362 PolarHBondContact O-N 2.79Å; F354-Y364 HydrophobicContact CE1-CD1 4.36Å; F354-Y364 HydrophobicContact CE1-CG 4.04Å; F354-Y364 HydrophobicContact CZ-CD2 4.47Å; F354-Y364 HydrophobicContact CZ-CG 4.07Å; F354-M667 HydrophobicContact CE1-CE 4.22Å
355N92Very high82.2Confident0 Ų030.3 Ų30.30%016%0.158CC..EExtended strand (participates in β ladder)trans-59.8131.7180-65.296.1000112.5L317 L332 P333 A334 V396L317-N355 WeakPolarHBondContact CD2-O 3.48Å; L332-N355 HydrophobicContact CD2-CB 3.84Å; P333-N355 VanDerWaalsContact CD-OD1 3.22Å; P333-N355 WeakPolarHBondContact CD-OD1 3.48Å; A334-N355 VanDerWaalsContact CB-OD1 3.26Å; A334-N355 WeakPolarHBondContact CB-OD1 3.28Å; A334-N355 PolarHBondContact N-OD1 2.96Å; N355-V396 PolarHBondContact ND2-O 3.35Å
356G88.9Confident83.2Confident1 Ų125.1 Ų25.11%0.0114%0.136CC..  trans-100.8-128.7174.100000112.5A316 L317 R318 F354 E360A316-G356 CarbonylContact O-C 3.57Å; A316-G356 VanDerWaalsContact O-CA 3.29Å; A316-G356 WeakPolarHBondContact O-CA 3.41Å; L317-G356 CarbonylContact C-O 3.54Å; L317-G356 WeakPolarHBondContact CA-O 3.45Å; R318-G356 PolarHBondContact N-O 3.46Å; F354-G356 PolarHBondContact O-N 2.82Å; G356-E360 PolarHBondContact N-O 3.42Å
357R85.5Confident84.4Confident49 Ų4924 Ų2419%0.18513%0.132CC..SBendtrans-62.4161.8166-63.3-179.5179.3133.30.5109.9D296 A316 G359 E360D296-R357 IonicContact OD2-CZ 3.96Å; D296-R357 VanDerWaalsContact OD2-CZ 3.27Å; D296-R357 IonicContact OD2-NE 3.98Å; D296-R357 PolarHBondContact OD2-NE 3.24Å; D296-R357 IonicContact OD2-NH2 2.6Å; D296-R357 PolarHBondContact OD2-NH2 3.13Å; A316-R357 HydrophobicContact CB-CG 4.22Å; R357-G359 PolarHBondContact O-N 2.94Å; R357-G359 VanDerWaalsContact O-N 3.13Å; R357-E360 HydrophobicContact CB-CB 4.38Å; R357-E360 HydrophobicContact CB-CG 4.27Å; R357-E360 WeakPolarHBondContact CB-OE2 3.31Å; R357-E360 WeakPolarHBondContact O-CB 3.33Å; R357-E360 PolarHBondContact O-N 3.37Å
358P82.3Confident85.4Confident20 Ų2025.4 Ų25.413%0.1314%0.143CC..THydrogen-bonded Turntrans-56.5124.1-179.6-18.427.9000111.1R318 L382R318-P358 HydrophobicContact CB-CB 4.46Å; R318-P358 HydrophobicContact CB-CG 3.82Å; P358-L382 HydrophobicContact CB-CD2 3.81Å; P358-L382 HydrophobicContact CG-CD1 4.46Å; P358-L382 HydrophobicContact CG-CD2 4.05Å
359G86.4Confident86.4Confident0 Ų020.6 Ų20.60%012%0.123CC..THydrogen-bonded Turntrans851.4-177.600000115.5R357 I377 T378 D395R357-G359 PolarHBondContact O-N 2.94Å; R357-G359 VanDerWaalsContact O-N 3.13Å; G359-I377 WeakPolarHBondContact O-CB 2.98Å; G359-I377 PolarHBondContact O-N 3.38Å; G359-T378 VanDerWaalsContact CA-CG2 3.45Å; G359-T378 PolarHBondContact O-N 2.78Å; G359-D395 PolarHBondContact N-OD1 2.79Å
360E90.1Very high87.2Confident35 Ų3520.7 Ų20.716%0.16412%0.124CC..EExtended strand (participates in β ladder)trans-115.5150.8-179.1-61.7-179.6-179.300112.2G356 R357 L375 D376G356-E360 PolarHBondContact N-O 3.42Å; R357-E360 HydrophobicContact CB-CB 4.38Å; R357-E360 HydrophobicContact CB-CG 4.27Å; R357-E360 WeakPolarHBondContact CB-OE2 3.31Å; R357-E360 WeakPolarHBondContact O-CB 3.33Å; R357-E360 PolarHBondContact O-N 3.37Å; E360-L375 CarbonylContact C-O 3.57Å; E360-L375 VanDerWaalsContact CA-O 3.27Å; E360-L375 WeakPolarHBondContact CA-O 3.3Å; E360-D376 HydrophobicContact CG-CB 4.34Å
361L93.2Very high87.4Confident0 Ų020.8 Ų20.80%013%0.125CC..EExtended strand (participates in β ladder)trans-106142.7163.9-70179.1000110.6I353 F354 N374 L375 I377 V396 V399 M406 T408I353-L361 HydrophobicContact CG2-CB 4.32Å; I353-L361 HydrophobicContact CG2-CD1 4.06Å; F354-L361 WeakPolarHBondContact O-CA 3.32Å; L361-N374 CarbonylContact O-C 3.52Å; L361-N374 WeakPolarHBondContact O-CA 3.43Å; L361-L375 PolarHBondContact N-O 2.68Å; L361-L375 PolarHBondContact O-N 3.46Å; L361-I377 HydrophobicContact CB-CG1 4.47Å; L361-I377 HydrophobicContact CD1-CD1 4.12Å; L361-I377 HydrophobicContact CD1-CG1 4.09Å; L361-I377 HydrophobicContact CG-CD1 4.4Å; L361-I377 HydrophobicContact CG-CG1 3.92Å; L361-V396 HydrophobicContact CD1-CG1 4.43Å; L361-V396 HydrophobicContact CD2-CB 4.26Å; L361-V396 HydrophobicContact CD2-CG1 3.97Å; L361-V396 HydrophobicContact CD2-CG2 4.47Å; L361-V396 HydrophobicContact CG-CG1 4.29Å; L361-V396 HydrophobicContact CG-CG2 4.38Å; L361-V399 HydrophobicContact CD1-CB 4.27Å; L361-V399 HydrophobicContact CD1-CG2 3.86Å; L361-M406 HydrophobicContact CD1-SD 3.98Å; L361-T408 HydrophobicContact CD1-CG2 3.67Å
362Q92.5Very high87.3Confident0 Ų023.6 Ų23.60%014%0.142CC..EExtended strand (participates in β ladder)trans-104.1133.2175-96.8171.632.900111.4A316 I353 F354 V371 N374A316-Q362 VanDerWaalsContact CB-NE2 3.31Å; A316-Q362 PolarHBondContact O-NE2 3.38Å; A316-Q362 PolarHBondContact O-OE1 3.21Å; I353-Q362 WeakPolarHBondContact CA-O 3.31Å; F354-Q362 HydrophobicContact CD2-CB 4.32Å; F354-Q362 HydrophobicContact CE2-CB 3.99Å; F354-Q362 HydrophobicContact CZ-CB 4.4Å; F354-Q362 PolarHBondContact N-O 3.41Å; F354-Q362 VanDerWaalsContact N-O 3.17Å; F354-Q362 PolarHBondContact O-N 2.79Å; Q362-V371 HydrophobicContact CG-CG1 4.13Å; Q362-N374 WeakPolarHBondContact CG-OD1 3.2Å; Q362-N374 PolarHBondContact NE2-OD1 2.82Å
363F92Very high87Confident0 Ų025.4 Ų25.40%015%0.149CC..EExtended strand (participates in β ladder)trans-102.1114.9169.6-71.9-104.4000108.1V351 L352 I353 V371 V372 F373 L375 M406 F435V351-F363 HydrophobicContact CG1-CB 3.89Å; V351-F363 HydrophobicContact CG1-CD1 4.06Å; V351-F363 HydrophobicContact CG1-CG 4.48Å; L352-F363 CarbonylContact O-C 3.42Å; L352-F363 WeakPolarHBondContact O-CA 3.36Å; I353-F363 HydrophobicContact CD1-CD1 4.19Å; I353-F363 HydrophobicContact CD1-CE1 3.5Å; I353-F363 HydrophobicContact CD1-CZ 3.98Å; I353-F363 HydrophobicContact CG1-CD1 3.72Å; I353-F363 HydrophobicContact CG1-CE1 3.52Å; I353-F363 HydrophobicContact CG1-CG 4.43Å; I353-F363 HydrophobicContact CG1-CZ 4.06Å; I353-F363 HydrophobicContact CG2-CZ 4.35Å; F363-V371 CarbonylContact O-C 3.56Å; F363-V372 HydrophobicContact CB-CB 4.36Å; F363-V372 PolarHBondContact O-N 3.44Å; F363-F373 HydrophobicContact CB-CD1 3.83Å; F363-F373 HydrophobicContact CB-CE1 3.64Å; F363-F373 HydrophobicContact CB-CG 4.37Å; F363-F373 HydrophobicContact CB-CZ 4.07Å; F363-F373 AromaticContact CD1-CE1 3.76Å; F363-F373 HydrophobicContact CD1-CE1 3.76Å; F363-F373 AromaticContact CD1-CZ 3.63Å; F363-F373 HydrophobicContact CD1-CZ 3.63Å; F363-F373 HydrophobicContact CD2-CD1 4.35Å; F363-F373 AromaticContact CD2-CD2 3.93Å; F363-F373 HydrophobicContact CD2-CD2 3.93Å; F363-F373 AromaticContact CD2-CE1 3.84Å; F363-F373 HydrophobicContact CD2-CE1 3.84Å; F363-F373 AromaticContact CD2-CE2 3.37Å; F363-F373 HydrophobicContact CD2-CE2 3.37Å; F363-F373 HydrophobicContact CD2-CG 4.39Å; F363-F373 AromaticContact CD2-CZ 3.31Å; F363-F373 HydrophobicContact CD2-CZ 3.31Å; F363-F373 HydrophobicContact CE1-CE1 4.37Å; F363-F373 AromaticContact CE1-CZ 3.82Å; F363-F373 HydrophobicContact CE1-CZ 3.82Å; F363-F373 HydrophobicContact CE2-CD2 4.43Å; F363-F373 HydrophobicContact CE2-CE1 4.45Å; F363-F373 AromaticContact CE2-CE2 3.52Å; F363-F373 HydrophobicContact CE2-CE2 3.52Å; F363-F373 AromaticContact CE2-CZ 3.54Å; F363-F373 HydrophobicContact CE2-CZ 3.54Å; F363-F373 HydrophobicContact CG-CD1 4.08Å; F363-F373 HydrophobicContact CG-CD2 4.47Å; F363-F373 AromaticContact CG-CE1 3.46Å; F363-F373 HydrophobicContact CG-CE1 3.46Å; F363-F373 VanDerWaalsContact CG-CE1 3.46Å; F363-F373 AromaticContact CG-CE2 3.92Å; F363-F373 HydrophobicContact CG-CE2 3.92Å; F363-F373 AromaticContact CG-CZ 3.37Å; F363-F373 HydrophobicContact CG-CZ 3.37Å; F363-F373 HydrophobicContact CZ-CE2 4.17Å; F363-F373 AromaticContact CZ-CZ 3.78Å; F363-F373 HydrophobicContact CZ-CZ 3.78Å; F363-F373 PolarHBondContact N-O 2.73Å; F363-L375 HydrophobicContact CE2-CB 4.06Å; F363-L375 HydrophobicContact CE2-CD2 4.28Å; F363-M406 HydrophobicContact CZ-SD 4.16Å; F363-F435 HydrophobicContact CE1-CD2 4.28Å; F363-F435 AromaticContact CE1-CE2 3.55Å; F363-F435 HydrophobicContact CE1-CE2 3.55Å; F363-F435 HydrophobicContact CE1-CZ 4.34Å; F363-F435 AromaticContact CZ-CD2 3.77Å; F363-F435 HydrophobicContact CZ-CD2 3.77Å; F363-F435 AromaticContact CZ-CE2 3.47Å; F363-F435 HydrophobicContact CZ-CE2 3.47Å; F363-F435 VanDerWaalsContact CZ-CE2 3.47Å; F363-F435 HydrophobicContact CZ-CZ 4.37Å
364Y89.3Confident86.8Confident3 Ų327.8 Ų27.81%0.01216%0.162CC..EExtended strand (participates in β ladder)trans-122.8121.9-170178.1-92.7000111G11 I315 V351 L352 F354 L366 N369 V371 M667G11-Y364 PolarHBondContact N-OH 2.75Å; I315-Y364 HydrophobicContact CD1-CD2 4.12Å; I315-Y364 HydrophobicContact CD1-CE2 3.69Å; I315-Y364 HydrophobicContact CG1-CD2 3.97Å; I315-Y364 HydrophobicContact CG1-CE2 3.7Å; V351-Y364 CarbonylContact C-O 3.55Å; V351-Y364 WeakPolarHBondContact CA-O 3.29Å; L352-Y364 PolarHBondContact N-O 2.89Å; L352-Y364 PolarHBondContact O-N 2.95Å; F354-Y364 HydrophobicContact CE1-CD1 4.36Å; F354-Y364 HydrophobicContact CE1-CG 4.04Å; F354-Y364 HydrophobicContact CZ-CD2 4.47Å; F354-Y364 HydrophobicContact CZ-CG 4.07Å; Y364-L366 HydrophobicContact CD1-CD2 4.31Å; Y364-L366 HydrophobicContact CE1-CD2 4.06Å; Y364-N369 WeakPolarHBondContact OH-CA 3.29Å; Y364-N369 PolarHBondContact OH-OD1 3.01Å; Y364-V371 HydrophobicContact CD2-CG2 4.18Å; Y364-M667 HydrophobicContact CD1-CE 4.5Å; Y364-M667 HydrophobicContact CE1-CE 4.47Å
365S87.1Confident86.7Confident4 Ų428.3 Ų28.33%0.02817%0.165CC..EExtended strand (participates in β ladder)trans-84129.8179.1-179.40000111.1A367 T368 N369 S370S365-A367 VanDerWaalsContact C-N 3.34Å; S365-A367 PolarHBondContact OG-N 2.81Å; S365-T368 WeakPolarHBondContact CB-OG1 3.34Å; S365-N369 PolarHBondContact O-N 3.21Å; S365-S370 PolarHBondContact N-O 3.01Å
366L84Confident86.6Confident19 Ų1931.8 Ų31.810%0.09918%0.184CC..THydrogen-bonded Turntrans-76.3-15.8177.7-68.6171.5000113.8I9 P350 L352 Y364 V645 Y659 M667I9-L366 HydrophobicContact CD1-CD2 3.72Å; P350-L366 HydrophobicContact CG-CD1 4.22Å; P350-L366 PolarHBondContact O-N 2.88Å; P350-L366 VanDerWaalsContact O-N 3.11Å; L352-L366 HydrophobicContact CD1-CD1 4.02Å; L352-L366 HydrophobicContact CD1-CD2 3.8Å; L352-L366 HydrophobicContact CD1-CG 4.14Å; L352-L366 HydrophobicContact CD2-CD1 4.23Å; L352-L366 HydrophobicContact CG-CD1 3.86Å; L352-L366 HydrophobicContact CG-CD2 4.27Å; L352-L366 HydrophobicContact CG-CG 4.06Å; Y364-L366 HydrophobicContact CD1-CD2 4.31Å; Y364-L366 HydrophobicContact CE1-CD2 4.06Å; L366-V645 HydrophobicContact CD1-CG2 4.23Å; L366-Y659 HydrophobicContact CD1-CD1 4.44Å; L366-Y659 HydrophobicContact CD1-CD2 4.3Å; L366-Y659 HydrophobicContact CD1-CE1 4.16Å; L366-Y659 HydrophobicContact CD1-CE2 4Å; L366-Y659 HydrophobicContact CD1-CG 4.49Å; L366-Y659 HydrophobicContact CD2-CD1 4.06Å; L366-Y659 HydrophobicContact CD2-CE1 3.97Å; L366-M667 HydrophobicContact CD2-CG 4.26Å
367A80.6Confident86.7Confident60 Ų6031.9 Ų31.950%0.49618%0.184SC..THydrogen-bonded Turntrans-80-53.7171.900000112.5P349 S365 N369P349-A367 HydrophobicContact CB-CB 4.49Å; P349-A367 HydrophobicContact CG-CB 3Å; S365-A367 VanDerWaalsContact C-N 3.34Å; S365-A367 PolarHBondContact OG-N 2.81Å; A367-N369 PolarHBondContact O-N 2.94Å
368T78.3Confident86.7Confident91 Ų9130.2 Ų30.256%0.55818%0.179SC*.THydrogen-bonded Turntrans-86.6-1.2-168.858.10000111.5S365 S370S365-T368 WeakPolarHBondContact CB-OG1 3.34Å; T368-S370 WeakPolarHBondContact CB-OG 3.3Å; T368-S370 PolarHBondContact O-N 2.88Å; T368-S370 VanDerWaalsContact O-N 3.15Å; T368-S370 PolarHBondContact O-OG 2.8Å; T368-S370 PolarHBondContact OG1-OG 3.42Å
369N81Confident86.4Confident70 Ų7032.1 Ų32.137%0.37420%0.203SC..THydrogen-bonded Turntrans4944180179.115.6000110.8I9 G10 G11 Y364 S365 A367I9-N369 PolarHBondContact O-ND2 2.9Å; G10-N369 WeakPolarHBondContact CA-ND2 3.36Å; G10-N369 WeakPolarHBondContact CA-OD1 3.44Å; G11-N369 PolarHBondContact N-OD1 2.92Å; Y364-N369 WeakPolarHBondContact OH-CA 3.29Å; Y364-N369 PolarHBondContact OH-OD1 3.01Å; S365-N369 PolarHBondContact O-N 3.21Å; A367-N369 PolarHBondContact O-N 2.94Å
370S80.7Confident85.6Confident51 Ų5137 Ų3736%0.35722%0.224SC..EExtended strand (participates in β ladder)trans-147.7152-172.9390000111.5S365 T368 V372S365-S370 PolarHBondContact N-O 3.01Å; T368-S370 WeakPolarHBondContact CB-OG 3.3Å; T368-S370 PolarHBondContact O-N 2.88Å; T368-S370 VanDerWaalsContact O-N 3.15Å; T368-S370 PolarHBondContact O-OG 2.8Å; T368-S370 PolarHBondContact OG1-OG 3.42Å; S370-V372 PolarHBondContact O-N 2.74Å
371V84.7Confident84.2Confident34 Ų3440.4 Ų40.421%0.20624%0.241CC..EExtended strand (participates in β ladder)trans-72.4123.21731790000108.1Q362 F363 Y364Q362-V371 HydrophobicContact CG-CG1 4.13Å; F363-V371 CarbonylContact O-C 3.56Å; Y364-V371 HydrophobicContact CD2-CG2 4.18Å
372V85.4Confident82.6Confident59 Ų5943.4 Ų43.436%0.35826%0.257SS..EExtended strand (participates in β ladder)trans-73.3-52.6175-171.30000109.4V351 F363 S370V351-V372 HydrophobicContact CG1-CG2 4.5Å; V351-V372 HydrophobicContact CG2-CG2 4.39Å; F363-V372 HydrophobicContact CB-CB 4.36Å; F363-V372 PolarHBondContact O-N 3.44Å; S370-V372 PolarHBondContact O-N 2.74Å
373F86.7Confident80.9Confident37 Ų3748.2 Ų48.216%0.16228%0.282CS..EExtended strand (participates in β ladder)trans-161167173.667.2-81.7000111.5L343 F363 L375 F435L343-F373 HydrophobicContact CD1-CE1 3.7Å; L343-F373 HydrophobicContact CD1-CZ 4.26Å; L343-F373 HydrophobicContact CD2-CE1 4.35Å; F363-F373 HydrophobicContact CB-CD1 3.83Å; F363-F373 HydrophobicContact CB-CE1 3.64Å; F363-F373 HydrophobicContact CB-CG 4.37Å; F363-F373 HydrophobicContact CB-CZ 4.07Å; F363-F373 AromaticContact CD1-CE1 3.76Å; F363-F373 HydrophobicContact CD1-CE1 3.76Å; F363-F373 AromaticContact CD1-CZ 3.63Å; F363-F373 HydrophobicContact CD1-CZ 3.63Å; F363-F373 HydrophobicContact CD2-CD1 4.35Å; F363-F373 AromaticContact CD2-CD2 3.93Å; F363-F373 HydrophobicContact CD2-CD2 3.93Å; F363-F373 AromaticContact CD2-CE1 3.84Å; F363-F373 HydrophobicContact CD2-CE1 3.84Å; F363-F373 AromaticContact CD2-CE2 3.37Å; F363-F373 HydrophobicContact CD2-CE2 3.37Å; F363-F373 HydrophobicContact CD2-CG 4.39Å; F363-F373 AromaticContact CD2-CZ 3.31Å; F363-F373 HydrophobicContact CD2-CZ 3.31Å; F363-F373 HydrophobicContact CE1-CE1 4.37Å; F363-F373 AromaticContact CE1-CZ 3.82Å; F363-F373 HydrophobicContact CE1-CZ 3.82Å; F363-F373 HydrophobicContact CE2-CD2 4.43Å; F363-F373 HydrophobicContact CE2-CE1 4.45Å; F363-F373 AromaticContact CE2-CE2 3.52Å; F363-F373 HydrophobicContact CE2-CE2 3.52Å; F363-F373 AromaticContact CE2-CZ 3.54Å; F363-F373 HydrophobicContact CE2-CZ 3.54Å; F363-F373 HydrophobicContact CG-CD1 4.08Å; F363-F373 HydrophobicContact CG-CD2 4.47Å; F363-F373 AromaticContact CG-CE1 3.46Å; F363-F373 HydrophobicContact CG-CE1 3.46Å; F363-F373 VanDerWaalsContact CG-CE1 3.46Å; F363-F373 AromaticContact CG-CE2 3.92Å; F363-F373 HydrophobicContact CG-CE2 3.92Å; F363-F373 AromaticContact CG-CZ 3.37Å; F363-F373 HydrophobicContact CG-CZ 3.37Å; F363-F373 HydrophobicContact CZ-CE2 4.17Å; F363-F373 AromaticContact CZ-CZ 3.78Å; F363-F373 HydrophobicContact CZ-CZ 3.78Å; F363-F373 PolarHBondContact N-O 2.73Å; F373-L375 HydrophobicContact CE2-CB 4.23Å; F373-F435 HydrophobicContact CZ-CD2 4.37Å
374N89.2Confident79.1Confident51 Ų5151.2 Ų51.227%0.27330%0.302SS..EExtended strand (participates in β ladder)trans-111.6139.8171.2-55.3-73.6000108.8L361 Q362L361-N374 CarbonylContact O-C 3.52Å; L361-N374 WeakPolarHBondContact O-CA 3.43Å; Q362-N374 WeakPolarHBondContact CG-OD1 3.2Å; Q362-N374 PolarHBondContact NE2-OD1 2.82Å
375L91Very high77.5Confident11 Ų1155.8 Ų55.86%0.05833%0.33CS..EExtended strand (participates in β ladder)trans-116116.3176.3-178.765.2000109.6E360 L361 F363 F373 I377 M406 F435E360-L375 CarbonylContact C-O 3.57Å; E360-L375 VanDerWaalsContact CA-O 3.27Å; E360-L375 WeakPolarHBondContact CA-O 3.3Å; L361-L375 PolarHBondContact N-O 2.68Å; L361-L375 PolarHBondContact O-N 3.46Å; F363-L375 HydrophobicContact CE2-CB 4.06Å; F363-L375 HydrophobicContact CE2-CD2 4.28Å; F373-L375 HydrophobicContact CE2-CB 4.23Å; L375-I377 HydrophobicContact CD2-CD1 3.64Å; L375-I377 HydrophobicContact CG-CD1 3.77Å; L375-I377 PolarHBondContact O-N 2.86Å; L375-M406 HydrophobicContact CD2-CE 3.3Å; L375-M406 HydrophobicContact CD2-SD 4.47Å; L375-F435 HydrophobicContact CD2-CB 3.83Å; L375-F435 HydrophobicContact CD2-CD2 4.37Å; L375-F435 HydrophobicContact CD2-CG 4.37Å
376D90.3Very high76Confident73 Ų7362.1 Ų62.139%0.3936%0.359SS..EExtended strand (participates in β ladder)trans-75.7112173.1-177.13.3000110.1E360 T378 G379E360-D376 HydrophobicContact CG-CB 4.34Å; D376-T378 PolarHBondContact OD1-N 2.99Å; D376-T378 VanDerWaalsContact OD1-N 3.1Å; D376-G379 PolarHBondContact OD1-N 2.84Å; D376-G379 WeakPolarHBondContact OD2-CA 3.45Å
377I91.4Very high74.4Confident2 Ų268.5 Ų68.51%0.0138%0.381CS..SBendtrans-86.6-40.8-179-59.8-55.7000110.4G359 L361 L375 V396 M406 T408 K424 W426G359-I377 WeakPolarHBondContact O-CB 2.98Å; G359-I377 PolarHBondContact O-N 3.38Å; L361-I377 HydrophobicContact CB-CG1 4.47Å; L361-I377 HydrophobicContact CD1-CD1 4.12Å; L361-I377 HydrophobicContact CD1-CG1 4.09Å; L361-I377 HydrophobicContact CG-CD1 4.4Å; L361-I377 HydrophobicContact CG-CG1 3.92Å; L375-I377 HydrophobicContact CD2-CD1 3.64Å; L375-I377 HydrophobicContact CG-CD1 3.77Å; L375-I377 PolarHBondContact O-N 2.86Å; I377-V396 HydrophobicContact CB-CG2 3.65Å; I377-V396 HydrophobicContact CG1-CG2 3.74Å; I377-V396 HydrophobicContact CG2-CG2 3.84Å; I377-M406 HydrophobicContact CD1-CE 4.18Å; I377-T408 HydrophobicContact CD1-CG2 3.91Å; I377-T408 HydrophobicContact CG1-CG2 4.29Å; I377-T408 HydrophobicContact CG2-CG2 4.36Å; I377-T408 WeakPolarHBondContact CG2-OG1 3.36Å; I377-K424 HydrophobicContact CG2-CD 4.38Å; I377-K424 PolarHBondContact O-NZ 3.09Å; I377-W426 HydrophobicContact CB-CZ2 4.27Å; I377-W426 HydrophobicContact CD1-CH2 4.13Å; I377-W426 HydrophobicContact CD1-CZ2 3.58Å; I377-W426 HydrophobicContact CG2-CZ2 3.94Å
378T84.7Confident72.9Confident14 Ų1474.5 Ų74.59%0.08640%0.399CS..SBendtrans-84.7-27.3-170.265.90000112.8G359 D376 K380 V394 E410G359-T378 VanDerWaalsContact CA-CG2 3.45Å; G359-T378 PolarHBondContact O-N 2.78Å; D376-T378 PolarHBondContact OD1-N 2.99Å; D376-T378 VanDerWaalsContact OD1-N 3.1Å; T378-K380 PolarHBondContact O-N 2.92Å; T378-K380 PolarHBondContact OG1-N 2.97Å; T378-V394 HydrophobicContact CG2-CB 4.3Å; T378-V394 HydrophobicContact CG2-CG1 3.84Å; T378-E410 HydrophobicContact CG2-CB 4.37Å
379G76.3Confident71.6Confident61 Ų6177.3 Ų77.363%0.62940%0.404SS*.  trans63.514.7-174.900000113.1D376D376-G379 PolarHBondContact OD1-N 2.84Å; D376-G379 WeakPolarHBondContact OD2-CA 3.45Å
380K68.4Low70.2Confident103 Ų10382 Ų8245%0.44842%0.423SS..  trans-100.2128.6-174.5-72.6-171.6179.5-178.40110.1T378 L382 V394T378-K380 PolarHBondContact O-N 2.92Å; T378-K380 PolarHBondContact OG1-N 2.97Å; K380-L382 PolarHBondContact O-N 3.47Å; K380-V394 HydrophobicContact CD-CB 4.28Å; K380-V394 HydrophobicContact CD-CG2 4.05Å
381M60.6Low69.1Low106 Ų10682.7 Ų82.752%0.52243%0.425SS..  trans-64.4128.1172.5-162.1176.390.300109.4R273 L383R273-M381 VanDerWaalsContact CZ-SD 3.55Å; R273-M381 PolarHBondContact NH2-SD 3.21Å; M381-L383 HydrophobicContact CE-CD2 4.07Å; M381-L383 PolarHBondContact O-N 3.03Å
382L59.7Low68Low62 Ų6283.9 Ų83.933%0.32543%0.428SS..  trans-65.1104.8170.8-72.1160.3000108.5P358 K380P358-L382 HydrophobicContact CB-CD2 3.81Å; P358-L382 HydrophobicContact CG-CD1 4.46Å; P358-L382 HydrophobicContact CG-CD2 4.05Å; K380-L382 PolarHBondContact O-N 3.47Å
383L57.2Low67.1Low101 Ų10182.7 Ų82.753%0.52942%0.423SS..  trans-71.1142.8174.7-67.2169.7000109.3M381 V391M381-L383 HydrophobicContact CE-CD2 4.07Å; M381-L383 PolarHBondContact O-N 3.03Å; L383-V391 HydrophobicContact CD1-CG1 4.4Å
384P54.3Low66.8Low64 Ų6481.6 Ų81.642%0.41642%0.419SS..  trans-55.7145.2169-18.229.7000110.1E386P384-E386 PolarHBondContact O-N 2.77Å
385V56.1Low66.6Low99 Ų9979.3 Ų79.360%0.641%0.407SS*.  trans-71.7101.7174.8-178.60000107.7
386E54.7Low66.6Low137 Ų13778.8 Ų78.864%0.6440%0.404SS*.  trans-69.5135.4170.7-71.9-176.7169.100109.6P384 E388 K389P384-E386 PolarHBondContact O-N 2.77Å; E386-E388 PolarHBondContact O-N 2.87Å; E386-K389 PolarHBondContact O-N 3Å
387R51Low66.6Low152 Ų15276.6 Ų76.657%0.57439%0.394SS*.THydrogen-bonded Turntrans-50.5-21.3-172.2-73.9-179175.5167.3-2.8115.9N211 E229 P231N211-R387 PolarHBondContact O-NH2 2.77Å; E229-R387 PolarHBondContact O-NH1 2.99Å; E229-R387 PolarHBondContact O-NH2 3.17Å; P231-R387 VanDerWaalsContact CD-NH2 3.3Å
388E49.4Very low66.6Low186 Ų18677.4 Ų77.487%0.86940%0.401SS*.THydrogen-bonded Turntrans-119-1.1-169.2-62.7-172.1166.900114.1E386E386-E388 PolarHBondContact O-N 2.87Å
389K50.7Low67.1Low150 Ų15077.3 Ų77.365%0.65240%0.401SS*.  trans-139.4116.1176.8-73.6-178.5-179.7171.20110.7E386 V391E386-K389 PolarHBondContact O-N 3Å; K389-V391 PolarHBondContact O-N 2.83Å
390E51.7Low67.9Low169 Ų16974.8 Ų74.879%0.7937%0.374SS*.  trans-60.9100.2164.5-76.7-175.3157.900108.4H392E390-H392 VanDerWaalsContact C-N 3.33Å; E390-H392 PolarHBondContact O-N 3.15Å
391V56.7Low69.1Low65 Ų6570.8 Ų70.839%0.39436%0.358SS..  trans-73.895.4172.2-177.30000106.8L383 K389 S393L383-V391 HydrophobicContact CD1-CG1 4.4Å; K389-V391 PolarHBondContact O-N 2.83Å; V391-S393 PolarHBondContact O-N 2.9Å
392H61.5Low70.4Confident59 Ų5966.1 Ų66.127%0.27334%0.337SS..  trans-54.2107.1170.9-67.4116.6000110.5E390 R412 Q413E390-H392 VanDerWaalsContact C-N 3.33Å; E390-H392 PolarHBondContact O-N 3.15Å; H392-R412 HydrophobicContact CB-CG 3.94Å; H392-R412 PolarHBondContact O-NE 3.15Å; H392-Q413 WeakPolarHBondContact CB-O 3.46Å; H392-Q413 PolarHBondContact CD2-O 2.73Å
393S68.4Low71.7Confident34 Ų3467.1 Ų67.124%0.23834%0.342CS..  trans-71.2143.7176.3550000110.4V391 Q413V391-S393 PolarHBondContact O-N 2.9Å; S393-Q413 PolarHBondContact O-N 2.88Å; S393-Q413 VanDerWaalsContact O-N 3.14Å
394V79.3Confident73.2Confident15 Ų1566 Ų669%0.09134%0.335CS..EExtended strand (participates in β ladder)trans-87.4132.5166.6-178.60000107.1T378 K380 E410 E411 R412T378-V394 HydrophobicContact CG2-CB 4.3Å; T378-V394 HydrophobicContact CG2-CG1 3.84Å; K380-V394 HydrophobicContact CD-CB 4.28Å; K380-V394 HydrophobicContact CD-CG2 4.05Å; V394-E410 HydrophobicContact CG1-CB 3.83Å; V394-E410 HydrophobicContact CG1-CG 4.12Å; V394-E411 WeakPolarHBondContact CA-O 3.43Å; V394-R412 HydrophobicContact CG2-CB 4.04Å; V394-R412 HydrophobicContact CG2-CG 4.15Å
395D85.6Confident75Confident3 Ų363.2 Ų63.22%0.01632%0.316CS..EExtended strand (participates in β ladder)trans-140.2164.7-179.4-163.517.5000111.2R318 G359 S397 E410 E411R318-D395 WeakPolarHBondContact CD-OD2 3.5Å; R318-D395 IonicContact CZ-OD2 3.64Å; R318-D395 IonicContact NE-OD2 3.27Å; R318-D395 PolarHBondContact NE-OD2 3.09Å; R318-D395 IonicContact NH1-OD2 3.27Å; R318-D395 PolarHBondContact NH1-OD2 2.87Å; G359-D395 PolarHBondContact N-OD1 2.79Å; D395-S397 PolarHBondContact O-N 3.13Å; D395-E410 CarbonylContact O-C 3.48Å; D395-E410 WeakPolarHBondContact O-CA 3.43Å; D395-E411 PolarHBondContact N-O 2.97Å; D395-E411 PolarHBondContact O-N 3.46Å
396V90.5Very high76.8Confident0 Ų058.5 Ų58.50%029%0.287CS..EExtended strand (participates in β ladder)trans-79.8116.7-179.7-171.10000109.3P333 A334 N355 L361 I377 T408 V409P333-V396 VanDerWaalsContact CG-O 3.27Å; P333-V396 WeakPolarHBondContact CG-O 3.49Å; A334-V396 HydrophobicContact CB-CG1 4.44Å; N355-V396 PolarHBondContact ND2-O 3.35Å; L361-V396 HydrophobicContact CD1-CG1 4.43Å; L361-V396 HydrophobicContact CD2-CB 4.26Å; L361-V396 HydrophobicContact CD2-CG1 3.97Å; L361-V396 HydrophobicContact CD2-CG2 4.47Å; L361-V396 HydrophobicContact CG-CG1 4.29Å; L361-V396 HydrophobicContact CG-CG2 4.38Å; I377-V396 HydrophobicContact CB-CG2 3.65Å; I377-V396 HydrophobicContact CG1-CG2 3.74Å; I377-V396 HydrophobicContact CG2-CG2 3.84Å; V396-T408 HydrophobicContact CG1-CG2 4.45Å; V396-V409 CarbonylContact C-O 3.26Å; V396-V409 WeakPolarHBondContact CA-O 3.38Å
397S89.6Confident78.8Confident26 Ų2652 Ų5218%0.18226%0.257CS..EExtended strand (participates in β ladder)trans-97-21.7-178.760.30000113.9P333 A334 D395 V409P333-S397 CarbonylContact C-O 3.52Å; P333-S397 VanDerWaalsContact C-O 3.24Å; P333-S397 VanDerWaalsContact O-O 3.09Å; A334-S397 PolarHBondContact N-O 2.81Å; D395-S397 PolarHBondContact O-N 3.13Å; S397-V409 PolarHBondContact N-O 2.83Å; S397-V409 VanDerWaalsContact OG-CG1 3.3Å; S397-V409 WeakPolarHBondContact OG-CG1 3.16Å; S397-V409 PolarHBondContact OG-O 2.82Å
398A92.1Very high80.9Confident19 Ų1944.7 Ų44.716%0.15723%0.229CC..EExtended strand (participates in β ladder)trans-151.6148.8177.500000111.7T408 V409 I452A398-T408 VanDerWaalsContact O-CA 3.32Å; A398-T408 WeakPolarHBondContact O-CA 3.03Å; A398-V409 HydrophobicContact CB-CB 4.15Å; A398-V409 HydrophobicContact CB-CG2 4.23Å; A398-V409 PolarHBondContact O-N 2.91Å; A398-I452 HydrophobicContact CB-CD1 3.69Å; A398-I452 HydrophobicContact CB-CG1 3.8Å
399V95.1Very high83.1Confident12 Ų1235.9 Ų35.97%0.07319%0.188CC..EExtended strand (participates in β ladder)trans-134.7141.5171.568.30000110A334 T337 I353 L361 V401 M406 V407 T408A334-V399 HydrophobicContact CB-CB 4.3Å; A334-V399 HydrophobicContact CB-CG1 3.97Å; T337-V399 WeakPolarHBondContact OG1-CG1 3.17Å; I353-V399 HydrophobicContact CG2-CG2 4.31Å; L361-V399 HydrophobicContact CD1-CB 4.27Å; L361-V399 HydrophobicContact CD1-CG2 3.86Å; V399-V401 HydrophobicContact CG2-CG2 4.48Å; V399-M406 HydrophobicContact CG2-CG 3.82Å; V399-M406 HydrophobicContact CG2-SD 4.04Å; V399-V407 CarbonylContact C-O 3.42Å; V399-V407 VanDerWaalsContact CA-O 3.31Å; V399-V407 WeakPolarHBondContact CA-O 3.33Å; V399-T408 HydrophobicContact CG2-CG2 4.24Å
400A94.1Very high84.9Confident9 Ų928.9 Ų28.97%0.07416%0.158CC..EExtended strand (participates in β ladder)trans-138.9145.2170.300000109.4M406 V407 I452 F454A400-M406 CarbonylContact O-C 3.42Å; A400-M406 WeakPolarHBondContact O-CA 3.41Å; A400-V407 PolarHBondContact N-O 3.18Å; A400-V407 PolarHBondContact O-N 3.22Å; A400-I452 HydrophobicContact CB-CD1 3.92Å; A400-I452 HydrophobicContact CB-CG1 3.99Å; A400-F454 HydrophobicContact CB-CD2 3.96Å; A400-F454 HydrophobicContact CB-CE2 4.04Å
401V92.3Very high86.5Confident18 Ų1822.9 Ų22.911%0.10913%0.13CC..EExtended strand (participates in β ladder)trans-131.6136.6-178.21800000109.9T337 I340 T341 I353 V399 W405 M406T337-V401 HydrophobicContact CG2-CB 4.19Å; T337-V401 HydrophobicContact CG2-CG2 3.88Å; I340-V401 HydrophobicContact CG1-CG1 3.89Å; T341-V401 HydrophobicContact CG2-CG1 3.34Å; I353-V401 HydrophobicContact CD1-CG2 3.72Å; V399-V401 HydrophobicContact CG2-CG2 4.48Å; V401-W405 WeakPolarHBondContact CA-O 3.36Å; V401-M406 HydrophobicContact CG2-CB 4.17Å; V401-M406 HydrophobicContact CG2-CG 3.98Å
402A89.5Confident87.5Confident9 Ų923.9 Ų23.97%0.07413%0.126CC..EExtended strand (participates in β ladder)trans-154.5136.517100000111.2Q404 W405 F454 L469A402-Q404 PolarHBondContact O-N 3.42Å; A402-W405 PolarHBondContact N-O 3.49Å; A402-W405 PolarHBondContact O-N 2.79Å; A402-F454 HydrophobicContact CB-CB 3.78Å; A402-F454 HydrophobicContact CB-CD1 3.96Å; A402-F454 HydrophobicContact CB-CD2 3.34Å; A402-F454 HydrophobicContact CB-CE1 4.35Å; A402-F454 HydrophobicContact CB-CE2 3.79Å; A402-F454 HydrophobicContact CB-CG 3.42Å; A402-F454 VanDerWaalsContact CB-CG 3.42Å; A402-F454 HydrophobicContact CB-CZ 4.25Å; A402-L469 HydrophobicContact CB-CD1 4.08Å; A402-L469 HydrophobicContact CB-CD2 4.42Å
403D85.6Confident87.7Confident82 Ų8223.1 Ų23.144%0.43912%0.123SC..THydrogen-bonded Turntrans52.4-102.3-179.7-67.4-27000113.2T341 K710T341-D403 WeakPolarHBondContact CA-O 3.06Å; D403-K710 IonicContact OD1-NZ 2.76Å; D403-K710 IonicContact OD2-NZ 3.13Å
404Q88.8Confident87.4Confident78 Ų7824.6 Ų24.636%0.36414%0.144SC..THydrogen-bonded Turntrans-112.76.6177.369.9-173.21.100112.8A402 K427 Y428A402-Q404 PolarHBondContact O-N 3.42Å; Q404-K427 HydrophobicContact CG-CG 4.46Å; Q404-Y428 WeakPolarHBondContact O-CB 3Å; Q404-Y428 PolarHBondContact O-N 3.05Å
405W92Very high86.4Confident5 Ų526.7 Ų26.72%0.01915%0.154CC..EExtended strand (participates in β ladder)trans-110.7136.6-171.4-64.8106.4000110.4V401 A402 W426 K427 D438 F454 W503V401-W405 WeakPolarHBondContact CA-O 3.36Å; A402-W405 PolarHBondContact N-O 3.49Å; A402-W405 PolarHBondContact O-N 2.79Å; W405-W426 WeakPolarHBondContact CA-O 3.27Å; W405-K427 HydrophobicContact CE3-CB 3.98Å; W405-K427 HydrophobicContact CE3-CG 4.31Å; W405-K427 HydrophobicContact CH2-CB 3.79Å; W405-K427 HydrophobicContact CH2-CD 3.7Å; W405-K427 HydrophobicContact CH2-CG 3.76Å; W405-K427 HydrophobicContact CZ2-CB 4.49Å; W405-K427 HydrophobicContact CZ2-CD 3.99Å; W405-K427 HydrophobicContact CZ2-CG 4.01Å; W405-K427 HydrophobicContact CZ3-CB 3.51Å; W405-K427 HydrophobicContact CZ3-CD 4.31Å; W405-K427 HydrophobicContact CZ3-CG 3.93Å; W405-D438 HydrophobicContact CH2-CB 4.19Å; W405-D438 HydrophobicContact CZ3-CB 3.72Å; W405-F454 HydrophobicContact CB-CZ 4Å; W405-W503 HydrophobicContact CB-CZ2 4.43Å; W405-W503 AromaticContact CD1-CZ2 3.9Å; W405-W503 AromaticContact CD2-CZ2 3.93Å; W405-W503 HydrophobicContact CD2-CZ2 3.93Å; W405-W503 AromaticContact CD2-NE1 3.69Å; W405-W503 AromaticContact CE2-NE1 3.86Å; W405-W503 HydrophobicContact CE3-CZ2 4.47Å; W405-W503 AromaticContact CE3-NE1 3.47Å; W405-W503 AromaticContact CG-CZ2 3.86Å; W405-W503 HydrophobicContact CG-CZ2 3.86Å; W405-W503 AromaticContact CH2-NE1 3.7Å; W405-W503 AromaticContact CZ2-NE1 3.94Å; W405-W503 AromaticContact CZ3-NE1 3.45Å
406M94.4Very high85.1Confident0 Ų033.7 Ų33.70%019%0.19CC..EExtended strand (participates in β ladder)trans-118.1139.6163.8176.3-174.567.900107.8L361 F363 L375 I377 V399 A400 V401 T408 W426 F435L361-M406 HydrophobicContact CD1-SD 3.98Å; F363-M406 HydrophobicContact CZ-SD 4.16Å; L375-M406 HydrophobicContact CD2-CE 3.3Å; L375-M406 HydrophobicContact CD2-SD 4.47Å; I377-M406 HydrophobicContact CD1-CE 4.18Å; V399-M406 HydrophobicContact CG2-CG 3.82Å; V399-M406 HydrophobicContact CG2-SD 4.04Å; A400-M406 CarbonylContact O-C 3.42Å; A400-M406 WeakPolarHBondContact O-CA 3.41Å; V401-M406 HydrophobicContact CG2-CB 4.17Å; V401-M406 HydrophobicContact CG2-CG 3.98Å; M406-T408 HydrophobicContact CE-CG2 4.09Å; M406-T408 HydrophobicContact CG-CG2 4.29Å; M406-T408 HydrophobicContact SD-CG2 4.27Å; M406-W426 HydrophobicContact CB-CB 4.26Å; M406-W426 HydrophobicContact CE-CB 3.83Å; M406-W426 HydrophobicContact CE-CD2 4.13Å; M406-W426 HydrophobicContact CE-CG 3.61Å; M406-W426 PolarHBondContact N-O 3.45Å; M406-W426 WeakPolarHBondContact O-CB 3.47Å; M406-W426 PolarHBondContact O-N 3Å; M406-F435 HydrophobicContact CB-CD1 3.88Å; M406-F435 HydrophobicContact CB-CE1 3.63Å; M406-F435 HydrophobicContact CB-CZ 4.31Å; M406-F435 HydrophobicContact CE-CB 4.21Å; M406-F435 HydrophobicContact CE-CD1 4.21Å; M406-F435 HydrophobicContact CE-CD2 4.47Å; M406-F435 HydrophobicContact CE-CG 4.05Å
407V96.4Very high83.5Confident0 Ų037.4 Ų37.40%022%0.221CC..EExtended strand (participates in β ladder)trans-121136.7174172.50000108.5V399 A400 L423 K424 F425 I452 F454 L471V399-V407 CarbonylContact C-O 3.42Å; V399-V407 VanDerWaalsContact CA-O 3.31Å; V399-V407 WeakPolarHBondContact CA-O 3.33Å; A400-V407 PolarHBondContact N-O 3.18Å; A400-V407 PolarHBondContact O-N 3.22Å; V407-L423 HydrophobicContact CG1-CD1 3.44Å; V407-L423 VanDerWaalsContact CG1-CD1 3.44Å; V407-L423 HydrophobicContact CG1-CG 4.22Å; V407-K424 CarbonylContact C-O 3.55Å; V407-K424 VanDerWaalsContact CA-O 3.28Å; V407-K424 WeakPolarHBondContact CA-O 3.4Å; V407-F425 HydrophobicContact CG2-CD1 3.35Å; V407-F425 HydrophobicContact CG2-CE1 3.63Å; V407-F425 HydrophobicContact CG2-CG 4.09Å; V407-I452 HydrophobicContact CG1-CD1 4.13Å; V407-F454 HydrophobicContact CB-CZ 4.39Å; V407-F454 HydrophobicContact CG2-CE1 4.35Å; V407-F454 HydrophobicContact CG2-CE2 4.24Å; V407-F454 HydrophobicContact CG2-CZ 3.61Å; V407-L471 HydrophobicContact CB-CD1 4.12Å; V407-L471 HydrophobicContact CB-CD2 4.34Å; V407-L471 HydrophobicContact CG1-CD1 4.12Å; V407-L471 HydrophobicContact CG1-CD2 3.64Å; V407-L471 HydrophobicContact CG2-CD1 4.11Å; V407-L471 HydrophobicContact CG2-CD2 4.13Å
408T96.4Very high82Confident0 Ų040.7 Ų40.70%024%0.236CC..EExtended strand (participates in β ladder)trans-127.5144.5177.161.80000110.8L361 I377 V396 A398 V399 M406 K424 W426L361-T408 HydrophobicContact CD1-CG2 3.67Å; I377-T408 HydrophobicContact CD1-CG2 3.91Å; I377-T408 HydrophobicContact CG1-CG2 4.29Å; I377-T408 HydrophobicContact CG2-CG2 4.36Å; I377-T408 WeakPolarHBondContact CG2-OG1 3.36Å; V396-T408 HydrophobicContact CG1-CG2 4.45Å; A398-T408 VanDerWaalsContact O-CA 3.32Å; A398-T408 WeakPolarHBondContact O-CA 3.03Å; V399-T408 HydrophobicContact CG2-CG2 4.24Å; M406-T408 HydrophobicContact CE-CG2 4.09Å; M406-T408 HydrophobicContact CG-CG2 4.29Å; M406-T408 HydrophobicContact SD-CG2 4.27Å; T408-K424 PolarHBondContact N-O 2.83Å; T408-K424 PolarHBondContact O-N 3.17Å; T408-W426 PolarHBondContact OG1-NE1 3.02Å
409V94.1Very high80.7Confident0 Ų040 Ų400%023%0.23CC..EExtended strand (participates in β ladder)trans-105.8127.5166.3178.80000108.4V396 S397 A398 K422 L423 I449 I452V396-V409 CarbonylContact C-O 3.26Å; V396-V409 WeakPolarHBondContact CA-O 3.38Å; S397-V409 PolarHBondContact N-O 2.83Å; S397-V409 VanDerWaalsContact OG-CG1 3.3Å; S397-V409 WeakPolarHBondContact OG-CG1 3.16Å; S397-V409 PolarHBondContact OG-O 2.82Å; A398-V409 HydrophobicContact CB-CB 4.15Å; A398-V409 HydrophobicContact CB-CG2 4.23Å; A398-V409 PolarHBondContact O-N 2.91Å; V409-K422 WeakPolarHBondContact CA-O 3.34Å; V409-L423 HydrophobicContact CG2-CD1 3.75Å; V409-I449 HydrophobicContact CG1-CB 4.42Å; V409-I449 HydrophobicContact CG1-CD1 3.91Å; V409-I449 HydrophobicContact CG2-CD1 3.93Å; V409-I449 HydrophobicContact CG2-CG2 4.22Å; V409-I452 HydrophobicContact CG2-CD1 4.2Å; V409-I452 HydrophobicContact CG2-CG2 3.71Å
410E90.1Very high79.8Confident4 Ų442.9 Ų42.92%0.01925%0.245CC..EExtended strand (participates in β ladder)trans-101.5140.1167.669.5-177.4-152.100110.3T378 V394 D395 R421 K422 K424T378-E410 HydrophobicContact CG2-CB 4.37Å; V394-E410 HydrophobicContact CG1-CB 3.83Å; V394-E410 HydrophobicContact CG1-CG 4.12Å; D395-E410 CarbonylContact O-C 3.48Å; D395-E410 WeakPolarHBondContact O-CA 3.43Å; E410-R421 VanDerWaalsContact O-CA 3.26Å; E410-R421 WeakPolarHBondContact O-CA 3.31Å; E410-K422 HydrophobicContact CG-CB 3.66Å; E410-K422 HydrophobicContact CG-CG 3.98Å; E410-K422 PolarHBondContact N-O 2.72Å; E410-K422 PolarHBondContact O-N 3.29Å; E410-K422 WeakPolarHBondContact OE1-CD 3.45Å; E410-K422 VanDerWaalsContact OE1-CE 3.24Å; E410-K422 WeakPolarHBondContact OE1-CE 3.19Å; E410-K422 WeakPolarHBondContact OE1-CG 3.3Å; E410-K424 IonicContact OE1-NZ 3.91Å; E410-K424 WeakPolarHBondContact OE2-CE 3.12Å; E410-K424 IonicContact OE2-NZ 3.88Å; E410-K424 PolarHBondContact OE2-NZ 2.74Å
411E84.4Confident79.5Confident43 Ų4342.9 Ų42.920%0.20124%0.243CC..EExtended strand (participates in β ladder)trans-137135179.8176168174.500110.5V394 D395 Q413 T419 R421V394-E411 WeakPolarHBondContact CA-O 3.43Å; D395-E411 PolarHBondContact N-O 2.97Å; D395-E411 PolarHBondContact O-N 3.46Å; E411-Q413 PolarHBondContact O-N 3.49Å; E411-T419 HydrophobicContact CG-CG2 4.45Å; E411-R421 HydrophobicContact CB-CG 4.23Å; E411-R421 VanDerWaalsContact CD-NH2 3.26Å; E411-R421 HydrophobicContact CG-CG 4.21Å; E411-R421 IonicContact OE1-CZ 2.63Å; E411-R421 IonicContact OE1-NE 2.75Å; E411-R421 IonicContact OE1-NH2 2.67Å; E411-R421 PolarHBondContact OE1-NH2 2.99Å; E411-R421 IonicContact OE2-CZ 3.96Å; E411-R421 IonicContact OE2-NE 2.86Å; E411-R421 PolarHBondContact OE2-NE 2.59Å; E411-R421 IonicContact OE2-NH2 3.43Å
412R77.6Confident79.5Confident86 Ų8644.4 Ų44.433%0.32525%0.249SC..EExtended strand (participates in β ladder)trans-77.8116.7168.2-167.8172-167.6166.6-2.7109.9H392 V394 T419 D420H392-R412 HydrophobicContact CB-CG 3.94Å; H392-R412 PolarHBondContact O-NE 3.15Å; V394-R412 HydrophobicContact CG2-CB 4.04Å; V394-R412 HydrophobicContact CG2-CG 4.15Å; R412-T419 WeakPolarHBondContact O-CG2 3.41Å; R412-D420 PolarHBondContact N-O 2.86Å
413Q66.6Low79.8Confident42 Ų4244 Ų4420%0.19625%0.245CC..THydrogen-bonded Turntrans-73147-179.8-63.7-171.222.800111.5H392 S393 E411H392-Q413 WeakPolarHBondContact CB-O 3.46Å; H392-Q413 PolarHBondContact CD2-O 2.73Å; S393-Q413 PolarHBondContact O-N 2.88Å; S393-Q413 VanDerWaalsContact O-N 3.14Å; E411-Q413 PolarHBondContact O-N 3.49Å
414G60.5Low80.2Confident66 Ų6641 Ų4168%0.6823%0.228SC*.THydrogen-bonded Turntrans91.8-11.9162.300000118.1
415D59.8Low80.6Confident58 Ų5837.2 Ų37.231%0.3121%0.211SC..  trans-123.489175.8-166-14.1000111.4A417 N418 T419D415-A417 PolarHBondContact O-N 2.94Å; D415-A417 VanDerWaalsContact O-N 3.14Å; D415-A417 PolarHBondContact OD1-N 2.83Å; D415-N418 HydrophobicContact CB-CB 4.42Å; D415-N418 CarbonylContact O-C 3.52Å; D415-N418 PolarHBondContact O-N 2.95Å; D415-N418 VanDerWaalsContact O-N 3.09Å; D415-N418 PolarHBondContact OD1-N 2.66Å; D415-N418 WeakPolarHBondContact OD2-CB 3.16Å; D415-T419 WeakPolarHBondContact O-CG2 3.47Å; D415-T419 PolarHBondContact O-N 2.78Å
416I56.6Low80.7Confident150 Ų15037.8 Ų37.877%0.76921%0.213SC*.G310 helixtrans-55.4-34.6-177.7-59.8168000111T419I416-T419 PolarHBondContact O-OG1 2.74Å
417A57.7Low80.6Confident78 Ų7842.1 Ų42.165%0.64523%0.232SC*.G310 helixtrans-78.4-26.2-177.300000113.3D415D415-A417 PolarHBondContact O-N 2.94Å; D415-A417 VanDerWaalsContact O-N 3.14Å; D415-A417 PolarHBondContact OD1-N 2.83Å
418N58.6Low80.3Confident95 Ų9543 Ų4351%0.50824%0.235SC..G310 helixtrans-12835.8-173.8-112.7-2.1000112.4D415 D420D415-N418 HydrophobicContact CB-CB 4.42Å; D415-N418 CarbonylContact O-C 3.52Å; D415-N418 PolarHBondContact O-N 2.95Å; D415-N418 VanDerWaalsContact O-N 3.09Å; D415-N418 PolarHBondContact OD1-N 2.66Å; D415-N418 WeakPolarHBondContact OD2-CB 3.16Å; N418-D420 VanDerWaalsContact C-N 3.35Å; N418-D420 PolarHBondContact O-N 2.94Å
419T65.5Low79.9Confident5 Ų545 Ų453%0.03125%0.246CC..  trans-73.988.9173.741.30000109.9E411 R412 D415 I416 R421E411-T419 HydrophobicContact CG-CG2 4.45Å; R412-T419 WeakPolarHBondContact O-CG2 3.41Å; D415-T419 WeakPolarHBondContact O-CG2 3.47Å; D415-T419 PolarHBondContact O-N 2.78Å; I416-T419 PolarHBondContact O-OG1 2.74Å; T419-R421 PolarHBondContact O-N 2.75Å; T419-R421 PolarHBondContact OG1-NH1 3.2Å; T419-R421 PolarHBondContact OG1-NH2 3.35Å
420D76.1Confident79.4Confident73 Ų7354 Ų5439%0.3928%0.28SS..  trans-59.8117.2161.5-65.6-25.2000107.6R412 N418R412-D420 PolarHBondContact N-O 2.86Å; N418-D420 VanDerWaalsContact C-N 3.35Å; N418-D420 PolarHBondContact O-N 2.94Å
421R86.9Confident79.2Confident8 Ų861 Ų613%0.0332%0.317CS..EExtended strand (participates in β ladder)trans-118.5135.3173.4-65.5-166.5-174.970.210.3110E410 E411 T419 Y443 T447 V448E410-R421 VanDerWaalsContact O-CA 3.26Å; E410-R421 WeakPolarHBondContact O-CA 3.31Å; E411-R421 HydrophobicContact CB-CG 4.23Å; E411-R421 VanDerWaalsContact CD-NH2 3.26Å; E411-R421 HydrophobicContact CG-CG 4.21Å; E411-R421 IonicContact OE1-CZ 2.63Å; E411-R421 IonicContact OE1-NE 2.75Å; E411-R421 IonicContact OE1-NH2 2.67Å; E411-R421 PolarHBondContact OE1-NH2 2.99Å; E411-R421 IonicContact OE2-CZ 3.96Å; E411-R421 IonicContact OE2-NE 2.86Å; E411-R421 PolarHBondContact OE2-NE 2.59Å; E411-R421 IonicContact OE2-NH2 3.43Å; T419-R421 PolarHBondContact O-N 2.75Å; T419-R421 PolarHBondContact OG1-NH1 3.2Å; T419-R421 PolarHBondContact OG1-NH2 3.35Å; R421-Y443 PolarHBondContact O-N 3.02Å; R421-T447 VanDerWaalsContact CD-O 3.28Å; R421-T447 WeakPolarHBondContact CD-O 3.33Å; R421-T447 PolarHBondContact NH1-O 3.13Å; R421-V448 VanDerWaalsContact CZ-CA 3.48Å
422K92Very high79.2Confident51 Ų5162.9 Ų62.922%0.22233%0.332CS..EExtended strand (participates in β ladder)trans-123.6141.1172.8-43.4-169.4-166.3-161.10111V409 E410 V441 E442V409-K422 WeakPolarHBondContact CA-O 3.34Å; E410-K422 HydrophobicContact CG-CB 3.66Å; E410-K422 HydrophobicContact CG-CG 3.98Å; E410-K422 PolarHBondContact N-O 2.72Å; E410-K422 PolarHBondContact O-N 3.29Å; E410-K422 WeakPolarHBondContact OE1-CD 3.45Å; E410-K422 VanDerWaalsContact OE1-CE 3.24Å; E410-K422 WeakPolarHBondContact OE1-CE 3.19Å; E410-K422 WeakPolarHBondContact OE1-CG 3.3Å; K422-V441 CarbonylContact C-O 3.59Å; K422-V441 VanDerWaalsContact CA-O 3.28Å; K422-V441 WeakPolarHBondContact CA-O 3.05Å; K422-E442 HydrophobicContact CD-CG 3.92Å; K422-E442 VanDerWaalsContact CE-OE1 3.26Å; K422-E442 WeakPolarHBondContact CE-OE1 3.12Å; K422-E442 HydrophobicContact CG-CG 4.09Å; K422-E442 IonicContact NZ-OE1 2.66Å; K422-E442 PolarHBondContact NZ-OE1 3Å
423L95.3Very high79.4Confident0 Ų062.1 Ų62.10%034%0.337CS..EExtended strand (participates in β ladder)trans-103.7115.9171.4-178.772000107.8V407 V409 F425 V441 Y443 L471 T473 W483V407-L423 HydrophobicContact CG1-CD1 3.44Å; V407-L423 VanDerWaalsContact CG1-CD1 3.44Å; V407-L423 HydrophobicContact CG1-CG 4.22Å; V409-L423 HydrophobicContact CG2-CD1 3.75Å; L423-F425 HydrophobicContact CD2-CE2 3.7Å; L423-F425 HydrophobicContact CD2-CZ 3.77Å; L423-F425 HydrophobicContact CG-CE2 3.86Å; L423-F425 HydrophobicContact CG-CZ 4.21Å; L423-V441 HydrophobicContact CB-CB 4.31Å; L423-V441 PolarHBondContact N-O 2.93Å; L423-V441 PolarHBondContact O-N 2.93Å; L423-Y443 HydrophobicContact CB-CD2 4.5Å; L423-Y443 HydrophobicContact CB-CE2 4.02Å; L423-Y443 HydrophobicContact CD2-CE2 4.34Å; L423-L471 HydrophobicContact CD1-CD2 4.02Å; L423-L471 HydrophobicContact CD2-CD2 3.92Å; L423-L471 HydrophobicContact CG-CD2 4.39Å; L423-T473 HydrophobicContact CD1-CG2 4.28Å; L423-T473 HydrophobicContact CD2-CG2 4.02Å; L423-W483 HydrophobicContact CD2-CD2 4.11Å; L423-W483 HydrophobicContact CD2-CG 4.42Å; L423-W483 HydrophobicContact CD2-CZ2 4.28Å
424K95.6Very high80.3Confident18 Ų1862.8 Ų62.88%0.07834%0.342CS..EExtended strand (participates in β ladder)trans-113.2132.1-177.7-71.9175.7173.3166.90110.5I377 V407 T408 E410 W426 L437 T439 C440I377-K424 HydrophobicContact CG2-CD 4.38Å; I377-K424 PolarHBondContact O-NZ 3.09Å; V407-K424 CarbonylContact C-O 3.55Å; V407-K424 VanDerWaalsContact CA-O 3.28Å; V407-K424 WeakPolarHBondContact CA-O 3.4Å; T408-K424 PolarHBondContact N-O 2.83Å; T408-K424 PolarHBondContact O-N 3.17Å; E410-K424 IonicContact OE1-NZ 3.91Å; E410-K424 WeakPolarHBondContact OE2-CE 3.12Å; E410-K424 IonicContact OE2-NZ 3.88Å; E410-K424 PolarHBondContact OE2-NZ 2.74Å; K424-W426 HydrophobicContact CB-CZ2 4.19Å; K424-W426 HydrophobicContact CD-CZ2 3.78Å; K424-L437 HydrophobicContact CB-CD1 3.75Å; K424-L437 HydrophobicContact CD-CD1 4.17Å; K424-L437 HydrophobicContact CG-CD1 3.93Å; K424-T439 CarbonylContact C-O 3.5Å; K424-T439 WeakPolarHBondContact CA-O 3.4Å; K424-C440 HydrophobicContact CG-CB 4.24Å
425F96.1Very high81.8Confident0 Ų059.9 Ų59.90%031%0.31CS..EExtended strand (participates in β ladder)trans-105.1125.9175-63.4-99.1000108.8V407 L423 D438 T439 V441 L471 W483 W503V407-F425 HydrophobicContact CG2-CD1 3.35Å; V407-F425 HydrophobicContact CG2-CE1 3.63Å; V407-F425 HydrophobicContact CG2-CG 4.09Å; L423-F425 HydrophobicContact CD2-CE2 3.7Å; L423-F425 HydrophobicContact CD2-CZ 3.77Å; L423-F425 HydrophobicContact CG-CE2 3.86Å; L423-F425 HydrophobicContact CG-CZ 4.21Å; F425-D438 PolarHBondContact O-N 2.76Å; F425-T439 HydrophobicContact CD2-CG2 4.15Å; F425-T439 PolarHBondContact N-O 2.82Å; F425-T439 PolarHBondContact O-N 3.32Å; F425-V441 HydrophobicContact CE2-CG2 4.33Å; F425-L471 HydrophobicContact CE1-CB 4.14Å; F425-L471 HydrophobicContact CE1-CD2 3.69Å; F425-L471 HydrophobicContact CZ-CD2 3.64Å; F425-W483 HydrophobicContact CE1-CB 4.41Å; F425-W483 HydrophobicContact CZ-CB 3.9Å; F425-W483 HydrophobicContact CZ-CD2 4.42Å; F425-W483 HydrophobicContact CZ-CG 4.08Å; F425-W503 HydrophobicContact CB-CG 4.15Å; F425-W503 HydrophobicContact CD1-CB 3.84Å; F425-W503 AromaticContact CD1-CD1 3.57Å; F425-W503 AromaticContact CD1-CD2 3.28Å; F425-W503 HydrophobicContact CD1-CD2 3.28Å; F425-W503 AromaticContact CD1-CE2 3.58Å; F425-W503 AromaticContact CD1-CE3 3.81Å; F425-W503 HydrophobicContact CD1-CE3 3.81Å; F425-W503 AromaticContact CD1-CG 3.28Å; F425-W503 HydrophobicContact CD1-CG 3.28Å; F425-W503 HydrophobicContact CD1-CZ2 4.33Å; F425-W503 AromaticContact CD1-NE1 3.72Å; F425-W503 HydrophobicContact CD2-CB 3.83Å; F425-W503 HydrophobicContact CD2-CG 4.12Å; F425-W503 HydrophobicContact CE1-CB 3.85Å; F425-W503 AromaticContact CE1-CD2 3.33Å; F425-W503 HydrophobicContact CE1-CD2 3.33Å; F425-W503 AromaticContact CE1-CE3 3.34Å; F425-W503 HydrophobicContact CE1-CE3 3.34Å; F425-W503 AromaticContact CE1-CG 3.58Å; F425-W503 HydrophobicContact CE1-CG 3.58Å; F425-W503 HydrophobicContact CE1-CZ3 4.04Å; F425-W503 HydrophobicContact CE2-CB 3.84Å; F425-W503 HydrophobicContact CE2-CG 4.36Å; F425-W503 HydrophobicContact CG-CB 3.83Å; F425-W503 AromaticContact CG-CD1 3.67Å; F425-W503 HydrophobicContact CG-CD2 4.1Å; F425-W503 AromaticContact CG-CG 3.59Å; F425-W503 HydrophobicContact CG-CG 3.59Å; F425-W503 HydrophobicContact CZ-CB 3.85Å; F425-W503 HydrophobicContact CZ-CD2 4.19Å; F425-W503 HydrophobicContact CZ-CE3 4.1Å; F425-W503 HydrophobicContact CZ-CG 4.12Å
426W94.5Very high83.3Confident17 Ų1760.7 Ų60.76%0.06432%0.315CS..EExtended strand (participates in β ladder)trans-120.3132.5-175.6-53.183.6000109.6I377 W405 M406 T408 K424 F435 D436 L437I377-W426 HydrophobicContact CB-CZ2 4.27Å; I377-W426 HydrophobicContact CD1-CH2 4.13Å; I377-W426 HydrophobicContact CD1-CZ2 3.58Å; I377-W426 HydrophobicContact CG2-CZ2 3.94Å; W405-W426 WeakPolarHBondContact CA-O 3.27Å; M406-W426 HydrophobicContact CB-CB 4.26Å; M406-W426 HydrophobicContact CE-CB 3.83Å; M406-W426 HydrophobicContact CE-CD2 4.13Å; M406-W426 HydrophobicContact CE-CG 3.61Å; M406-W426 PolarHBondContact N-O 3.45Å; M406-W426 WeakPolarHBondContact O-CB 3.47Å; M406-W426 PolarHBondContact O-N 3Å; T408-W426 PolarHBondContact OG1-NE1 3.02Å; K424-W426 HydrophobicContact CB-CZ2 4.19Å; K424-W426 HydrophobicContact CD-CZ2 3.78Å; W426-F435 HydrophobicContact CB-CB 4.07Å; W426-F435 HydrophobicContact CB-CD1 4.06Å; W426-F435 HydrophobicContact CB-CG 4.48Å; W426-F435 HydrophobicContact CE3-CB 4.44Å; W426-D436 CarbonylContact C-O 3.57Å; W426-D436 VanDerWaalsContact CA-O 3.3Å; W426-D436 WeakPolarHBondContact CA-O 3.28Å; W426-L437 HydrophobicContact CD2-CD1 4.11Å; W426-L437 HydrophobicContact CE3-CB 3.92Å; W426-L437 HydrophobicContact CE3-CD1 4.31Å; W426-L437 HydrophobicContact CH2-CB 4.33Å; W426-L437 HydrophobicContact CH2-CD1 4.31Å; W426-L437 HydrophobicContact CZ2-CD1 4.1Å; W426-L437 HydrophobicContact CZ3-CB 3.81Å; W426-L437 HydrophobicContact CZ3-CD1 4.41Å
427K92.1Very high85.1Confident91 Ų9157.8 Ų57.840%0.39630%0.3SS..EExtended strand (participates in β ladder)trans-103.4130.7177.6-164.6179.2-178.5178.90109.7Q404 W405 N429 F435 D436Q404-K427 HydrophobicContact CG-CG 4.46Å; W405-K427 HydrophobicContact CE3-CB 3.98Å; W405-K427 HydrophobicContact CE3-CG 4.31Å; W405-K427 HydrophobicContact CH2-CB 3.79Å; W405-K427 HydrophobicContact CH2-CD 3.7Å; W405-K427 HydrophobicContact CH2-CG 3.76Å; W405-K427 HydrophobicContact CZ2-CB 4.49Å; W405-K427 HydrophobicContact CZ2-CD 3.99Å; W405-K427 HydrophobicContact CZ2-CG 4.01Å; W405-K427 HydrophobicContact CZ3-CB 3.51Å; W405-K427 HydrophobicContact CZ3-CD 4.31Å; W405-K427 HydrophobicContact CZ3-CG 3.93Å; K427-N429 PolarHBondContact O-N 3.07Å; K427-F435 WeakPolarHBondContact O-CA 3.13Å; K427-D436 PolarHBondContact N-O 3.45Å; K427-D436 PolarHBondContact O-N 3.16Å
428Y89.9Confident86.7Confident18 Ų1857.2 Ų57.27%0.07129%0.286CS..EExtended strand (participates in β ladder)trans-68.8121.2174.5-176.3-115.5000110.7L343 Q404 R430 N434 F435L343-Y428 HydrophobicContact CB-CE1 4.38Å; L343-Y428 HydrophobicContact CB-CE2 3.77Å; L343-Y428 WeakPolarHBondContact CB-OH 3.31Å; L343-Y428 HydrophobicContact CD1-CE2 3.69Å; L343-Y428 HydrophobicContact CG-CE2 4.36Å; Q404-Y428 WeakPolarHBondContact O-CB 3Å; Q404-Y428 PolarHBondContact O-N 3.05Å; Y428-R430 HydrophobicContact CD1-CG 4.02Å; Y428-R430 HydrophobicContact CE1-CG 3.74Å; Y428-N434 WeakPolarHBondContact CD2-O 3.38Å; Y428-F435 HydrophobicContact CD2-CD1 4.49Å; Y428-F435 HydrophobicContact CD2-CD2 4.21Å; Y428-F435 HydrophobicContact CD2-CE1 4.2Å; Y428-F435 AromaticContact CD2-CE2 3.88Å; Y428-F435 HydrophobicContact CD2-CE2 3.88Å; Y428-F435 AromaticContact CD2-CZ 3.88Å; Y428-F435 HydrophobicContact CD2-CZ 3.88Å; Y428-F435 HydrophobicContact CG-CE1 4.42Å; Y428-F435 HydrophobicContact CG-CZ 4.38Å
429N88.3Confident88.4Confident43 Ų4353.6 Ų53.623%0.2327%0.267CS..EExtended strand (participates in β ladder)trans-100.9115.8174.1-175-16.9000109.5K427 D431 T432 V433 N434 D436K427-N429 PolarHBondContact O-N 3.07Å; N429-D431 VanDerWaalsContact C-N 3.32Å; N429-D431 PolarHBondContact O-N 3.43Å; N429-D431 WeakPolarHBondContact OD1-CB 3.32Å; N429-D431 PolarHBondContact OD1-N 3Å; N429-T432 WeakPolarHBondContact CB-OG1 3.48Å; N429-V433 WeakPolarHBondContact O-CA 3.36Å; N429-V433 PolarHBondContact O-N 3.44Å; N429-N434 PolarHBondContact N-O 3.09Å; N429-N434 PolarHBondContact O-N 3.29Å; N429-D436 WeakPolarHBondContact CB-OD2 3.16Å; N429-D436 PolarHBondContact ND2-OD2 3.48Å
430R83.4Confident89.8Confident187 Ų18756 Ų5671%0.70628%0.284SS*.THydrogen-bonded Turntrans-72.5-26.2-177.1-66.1-176.1-177.4-175.82.8113.1Y428Y428-R430 HydrophobicContact CD1-CG 4.02Å; Y428-R430 HydrophobicContact CE1-CG 3.74Å
431D85.1Confident90.6Very high152 Ų15254 Ų5481%0.81327%0.274SS*.THydrogen-bonded Turntrans-76-37.3-175.5-60.2-30.2000110.7N429N429-D431 VanDerWaalsContact C-N 3.32Å; N429-D431 PolarHBondContact O-N 3.43Å; N429-D431 WeakPolarHBondContact OD1-CB 3.32Å; N429-D431 PolarHBondContact OD1-N 3Å
432T84.2Confident90.8Very high83 Ų8360 Ų6051%0.50930%0.303SS..THydrogen-bonded Turntrans-93.4-9.5176.758.60000113.2N429 N434N429-T432 WeakPolarHBondContact CB-OG1 3.48Å; T432-N434 PolarHBondContact O-N 3.41Å
433V83Confident90.6Very high70 Ų7058.8 Ų58.842%0.42430%0.297SS..THydrogen-bonded Turntrans53.443.8-173.4-169.60000109.9L343 N429L343-V433 HydrophobicContact CD1-CG1 3.53Å; L343-V433 HydrophobicContact CG-CG1 4.43Å; N429-V433 WeakPolarHBondContact O-CA 3.36Å; N429-V433 PolarHBondContact O-N 3.44Å
434N85.9Confident90.1Very high56 Ų5664.2 Ų64.230%0.29933%0.326SS..EExtended strand (participates in β ladder)trans-146.9176.5-174.5-154.1-7.9000111.6Y428 N429 T432Y428-N434 WeakPolarHBondContact CD2-O 3.38Å; N429-N434 PolarHBondContact N-O 3.09Å; N429-N434 PolarHBondContact O-N 3.29Å; T432-N434 PolarHBondContact O-N 3.41Å
435F90.6Very high89.4Confident5 Ų567.3 Ų67.32%0.02235%0.347CS..EExtended strand (participates in β ladder)trans-107.1122.9178.2-76.2-89.4000111.1T341 F363 F373 L375 M406 W426 K427 Y428T341-F435 HydrophobicContact CG2-CE1 4.04Å; T341-F435 HydrophobicContact CG2-CZ 3.73Å; F363-F435 HydrophobicContact CE1-CD2 4.28Å; F363-F435 AromaticContact CE1-CE2 3.55Å; F363-F435 HydrophobicContact CE1-CE2 3.55Å; F363-F435 HydrophobicContact CE1-CZ 4.34Å; F363-F435 AromaticContact CZ-CD2 3.77Å; F363-F435 HydrophobicContact CZ-CD2 3.77Å; F363-F435 AromaticContact CZ-CE2 3.47Å; F363-F435 HydrophobicContact CZ-CE2 3.47Å; F363-F435 VanDerWaalsContact CZ-CE2 3.47Å; F363-F435 HydrophobicContact CZ-CZ 4.37Å; F373-F435 HydrophobicContact CZ-CD2 4.37Å; L375-F435 HydrophobicContact CD2-CB 3.83Å; L375-F435 HydrophobicContact CD2-CD2 4.37Å; L375-F435 HydrophobicContact CD2-CG 4.37Å; M406-F435 HydrophobicContact CB-CD1 3.88Å; M406-F435 HydrophobicContact CB-CE1 3.63Å; M406-F435 HydrophobicContact CB-CZ 4.31Å; M406-F435 HydrophobicContact CE-CB 4.21Å; M406-F435 HydrophobicContact CE-CD1 4.21Å; M406-F435 HydrophobicContact CE-CD2 4.47Å; M406-F435 HydrophobicContact CE-CG 4.05Å; W426-F435 HydrophobicContact CB-CB 4.07Å; W426-F435 HydrophobicContact CB-CD1 4.06Å; W426-F435 HydrophobicContact CB-CG 4.48Å; W426-F435 HydrophobicContact CE3-CB 4.44Å; K427-F435 WeakPolarHBondContact O-CA 3.13Å; Y428-F435 HydrophobicContact CD2-CD1 4.49Å; Y428-F435 HydrophobicContact CD2-CD2 4.21Å; Y428-F435 HydrophobicContact CD2-CE1 4.2Å; Y428-F435 AromaticContact CD2-CE2 3.88Å; Y428-F435 HydrophobicContact CD2-CE2 3.88Å; Y428-F435 AromaticContact CD2-CZ 3.88Å; Y428-F435 HydrophobicContact CD2-CZ 3.88Å; Y428-F435 HydrophobicContact CG-CE1 4.42Å; Y428-F435 HydrophobicContact CG-CZ 4.38Å
436D91.9Very high88.5Confident75 Ų7569 Ų6940%0.40136%0.364SS..EExtended strand (participates in β ladder)trans-98.3136.9176.6-63.8-30.1000110.1W426 K427 N429 D438W426-D436 CarbonylContact C-O 3.57Å; W426-D436 VanDerWaalsContact CA-O 3.3Å; W426-D436 WeakPolarHBondContact CA-O 3.28Å; K427-D436 PolarHBondContact N-O 3.45Å; K427-D436 PolarHBondContact O-N 3.16Å; N429-D436 WeakPolarHBondContact CB-OD2 3.16Å; N429-D436 PolarHBondContact ND2-OD2 3.48Å; D436-D438 PolarHBondContact O-N 3.42Å
437L93.6Very high88.1Confident89 Ų8968.6 Ų68.647%0.46636%0.364SS..EExtended strand (participates in β ladder)trans-70.1123.7176.8-177.767.4000110.1K424 W426K424-L437 HydrophobicContact CB-CD1 3.75Å; K424-L437 HydrophobicContact CD-CD1 4.17Å; K424-L437 HydrophobicContact CG-CD1 3.93Å; W426-L437 HydrophobicContact CD2-CD1 4.11Å; W426-L437 HydrophobicContact CE3-CB 3.92Å; W426-L437 HydrophobicContact CE3-CD1 4.31Å; W426-L437 HydrophobicContact CH2-CB 4.33Å; W426-L437 HydrophobicContact CH2-CD1 4.31Å; W426-L437 HydrophobicContact CZ2-CD1 4.1Å; W426-L437 HydrophobicContact CZ3-CB 3.81Å; W426-L437 HydrophobicContact CZ3-CD1 4.41Å
438D92.4Very high87.9Confident66 Ų6665.5 Ų65.535%0.35335%0.352SS..EExtended strand (participates in β ladder)trans-102.5-55.6179.6175.498.9000111.1W405 F425 D436W405-D438 HydrophobicContact CH2-CB 4.19Å; W405-D438 HydrophobicContact CZ3-CB 3.72Å; F425-D438 PolarHBondContact O-N 2.76Å; D436-D438 PolarHBondContact O-N 3.42Å
439T94Very high87.9Confident18 Ų1865.1 Ų65.111%0.1135%0.351CS..EExtended strand (participates in β ladder)trans-132137.9-176-580000110.4K424 F425 V441 W503K424-T439 CarbonylContact C-O 3.5Å; K424-T439 WeakPolarHBondContact CA-O 3.4Å; F425-T439 HydrophobicContact CD2-CG2 4.15Å; F425-T439 PolarHBondContact N-O 2.82Å; F425-T439 PolarHBondContact O-N 3.32Å; T439-V441 HydrophobicContact CG2-CG2 4.07Å; T439-W503 HydrophobicContact CG2-CB 4.19Å; T439-W503 PolarHBondContact OG1-N 2.94Å
440C93.9Very high88Confident57 Ų5764.3 Ų64.339%0.38535%0.349SS..EExtended strand (participates in β ladder)trans-127.3122.6173.8-177.90000109.5K424K424-C440 HydrophobicContact CG-CB 4.24Å
441V93.3Very high88.4Confident30 Ų3055.9 Ų55.918%0.18232%0.319CS..EExtended strand (participates in β ladder)trans-115.8125.4-179.5-176.80000109.3K422 L423 F425 T439 W483K422-V441 CarbonylContact C-O 3.59Å; K422-V441 VanDerWaalsContact CA-O 3.28Å; K422-V441 WeakPolarHBondContact CA-O 3.05Å; L423-V441 HydrophobicContact CB-CB 4.31Å; L423-V441 PolarHBondContact N-O 2.93Å; L423-V441 PolarHBondContact O-N 2.93Å; F425-V441 HydrophobicContact CE2-CG2 4.33Å; T439-V441 HydrophobicContact CG2-CG2 4.07Å; V441-W483 HydrophobicContact CB-CZ3 4.36Å; V441-W483 HydrophobicContact CG1-CH2 3.67Å; V441-W483 HydrophobicContact CG1-CZ3 3.84Å; V441-W483 HydrophobicContact CG2-CE3 4.38Å; V441-W483 HydrophobicContact CG2-CH2 4.48Å; V441-W483 HydrophobicContact CG2-CZ3 3.86Å
442E91Very high88.9Confident134 Ų13449.4 Ų49.463%0.62628%0.284SS*.EExtended strand (participates in β ladder)trans-93.8129.7175.6-57.3-168.3158.100110K422K422-E442 HydrophobicContact CD-CG 3.92Å; K422-E442 VanDerWaalsContact CE-OE1 3.26Å; K422-E442 WeakPolarHBondContact CE-OE1 3.12Å; K422-E442 HydrophobicContact CG-CG 4.09Å; K422-E442 IonicContact NZ-OE1 2.66Å; K422-E442 PolarHBondContact NZ-OE1 3Å
443Y88.5Confident89.3Confident25 Ų2548.1 Ų48.110%0.09827%0.27CS..PPolyproline II helixtrans-87156174.9-89-105000111.1R421 L423 T447 I449 T473 N481 W483R421-Y443 PolarHBondContact O-N 3.02Å; L423-Y443 HydrophobicContact CB-CD2 4.5Å; L423-Y443 HydrophobicContact CB-CE2 4.02Å; L423-Y443 HydrophobicContact CD2-CE2 4.34Å; Y443-T447 HydrophobicContact CD1-CG2 3.56Å; Y443-T447 HydrophobicContact CE1-CG2 4.1Å; Y443-I449 HydrophobicContact CD2-CD1 3.9Å; Y443-I449 HydrophobicContact CE1-CD1 4.39Å; Y443-I449 HydrophobicContact CE1-CG1 4.3Å; Y443-I449 HydrophobicContact CE2-CD1 3.63Å; Y443-I449 HydrophobicContact CE2-CG1 4.41Å; Y443-I449 HydrophobicContact CG-CD1 4.38Å; Y443-T473 PolarHBondContact OH-OG1 2.9Å; Y443-T473 VanDerWaalsContact OH-OG1 3.05Å; Y443-N481 PolarHBondContact OH-ND2 3.41Å; Y443-W483 HydrophobicContact CE2-CZ2 4.23Å; Y443-W483 AromaticContact CZ-CZ2 3.94Å; Y443-W483 VanDerWaalsContact OH-CZ2 3.3Å; Y443-W483 WeakPolarHBondContact OH-CZ2 3.31Å
444L84.8Confident89.8Confident115 Ų11545.7 Ų45.760%0.60225%0.254SS*.PPolyproline II helixtrans-60.5140.7172.8-65.6173.9000110.3G446 T447L444-G446 PolarHBondContact O-N 3.47Å; L444-T447 VanDerWaalsContact O-CB 3.32Å; L444-T447 WeakPolarHBondContact O-CB 3.47Å; L444-T447 PolarHBondContact O-N 3.48Å; L444-T447 PolarHBondContact O-OG1 2.72Å
445P80.1Confident90Very high83 Ų8343 Ų4354%0.53924%0.24SC..THydrogen-bonded Turntrans-50.1134.9178.4-28.334.8000112.3T447P445-T447 VanDerWaalsContact C-N 3.3Å; P445-T447 PolarHBondContact O-N 3.09Å
446G77.5Confident89.7Confident34 Ų3444.9 Ų44.935%0.35125%0.25SC..THydrogen-bonded Turntrans83.5-7.9-17900000115.3L444 V448L444-G446 PolarHBondContact O-N 3.47Å; G446-V448 PolarHBondContact O-N 3.29Å
447T86.1Confident89Confident10 Ų1041.9 Ų41.96%0.06124%0.237CC..  trans-73.6112.2176-510000110.6R421 Y443 L444 P445 C475 D477 R479R421-T447 VanDerWaalsContact CD-O 3.28Å; R421-T447 WeakPolarHBondContact CD-O 3.33Å; R421-T447 PolarHBondContact NH1-O 3.13Å; Y443-T447 HydrophobicContact CD1-CG2 3.56Å; Y443-T447 HydrophobicContact CE1-CG2 4.1Å; L444-T447 VanDerWaalsContact O-CB 3.32Å; L444-T447 WeakPolarHBondContact O-CB 3.47Å; L444-T447 PolarHBondContact O-N 3.48Å; L444-T447 PolarHBondContact O-OG1 2.72Å; P445-T447 VanDerWaalsContact C-N 3.3Å; P445-T447 PolarHBondContact O-N 3.09Å; T447-C475 HydrophobicContact CG2-CB 4.1Å; T447-D477 WeakPolarHBondContact CG2-OD2 3.39Å; T447-R479 PolarHBondContact OG1-NH2 2.85Å
448V87.4Confident88.5Confident25 Ų2537.7 Ų37.715%0.15221%0.214CC..  trans-92.6116.7-179.9-168.90000111.1R421 G446 C475 L476R421-V448 VanDerWaalsContact CZ-CA 3.48Å; G446-V448 PolarHBondContact O-N 3.29Å; V448-C475 CarbonylContact O-C 3.57Å; V448-C475 WeakPolarHBondContact O-CA 3.12Å; V448-L476 HydrophobicContact CB-CB 4.09Å; V448-L476 HydrophobicContact CB-CD1 3.84Å; V448-L476 HydrophobicContact CB-CG 3.98Å; V448-L476 HydrophobicContact CG1-CD1 3.77Å; V448-L476 HydrophobicContact CG1-CG 4.16Å; V448-L476 HydrophobicContact CG2-CD1 4.29Å; V448-L476 PolarHBondContact O-N 3.05Å
449I91.1Very high87.9Confident10 Ų1035.5 Ų35.55%0.05120%0.204CC..EExtended strand (participates in β ladder)trans-80.2122170.3-57172.5000107.7V409 Y443 I452 T474V409-I449 HydrophobicContact CG1-CB 4.42Å; V409-I449 HydrophobicContact CG1-CD1 3.91Å; V409-I449 HydrophobicContact CG2-CD1 3.93Å; V409-I449 HydrophobicContact CG2-CG2 4.22Å; Y443-I449 HydrophobicContact CD2-CD1 3.9Å; Y443-I449 HydrophobicContact CE1-CD1 4.39Å; Y443-I449 HydrophobicContact CE1-CG1 4.3Å; Y443-I449 HydrophobicContact CE2-CD1 3.63Å; Y443-I449 HydrophobicContact CE2-CG1 4.41Å; Y443-I449 HydrophobicContact CG-CD1 4.38Å; I449-I452 HydrophobicContact CG2-CG2 3.71Å; I449-T474 CarbonylContact C-O 3.56Å; I449-T474 WeakPolarHBondContact CA-O 3.44Å
450S89.8Confident87Confident26 Ų2637 Ų3718%0.18221%0.208CC..EExtended strand (participates in β ladder)trans-96.6-30.7-177.769.30000113.5T474 A516 S517S450-T474 PolarHBondContact N-O 2.67Å; S450-T474 PolarHBondContact OG-O 2.6Å; S450-T474 PolarHBondContact OG-OG1 2.85Å; S450-A516 PolarHBondContact OG-O 3.45Å; S450-S517 WeakPolarHBondContact CB-O 3.27Å; S450-S517 VanDerWaalsContact OG-CA 3.31Å; S450-S517 WeakPolarHBondContact OG-CA 2.96Å; S450-S517 PolarHBondContact OG-O 2.76Å
451S92.3Very high85.9Confident10 Ų1037.5 Ų37.57%0.0721%0.207CC..EExtended strand (participates in β ladder)trans-154.9146.6179.8-175.70000110.3T473 T474 S517 F518S451-T473 WeakPolarHBondContact O-CA 3.36Å; S451-T474 VanDerWaalsContact CB-OG1 3.31Å; S451-T474 WeakPolarHBondContact CB-OG1 3.43Å; S451-T474 PolarHBondContact N-OG1 3.11Å; S451-T474 PolarHBondContact O-N 3.38Å; S451-T474 PolarHBondContact O-OG1 2.82Å; S451-S517 WeakPolarHBondContact CB-O 3.37Å; S451-F518 WeakPolarHBondContact OG-CE2 3.38Å
452I94.8Very high84.5Confident16 Ų1642.3 Ų42.38%0.08224%0.243CC..EExtended strand (participates in β ladder)trans-127.2137.3171.364.8172.8000108.6A398 A400 V407 V409 I449 L471 A472 T473A398-I452 HydrophobicContact CB-CD1 3.69Å; A398-I452 HydrophobicContact CB-CG1 3.8Å; A400-I452 HydrophobicContact CB-CD1 3.92Å; A400-I452 HydrophobicContact CB-CG1 3.99Å; V407-I452 HydrophobicContact CG1-CD1 4.13Å; V409-I452 HydrophobicContact CG2-CD1 4.2Å; V409-I452 HydrophobicContact CG2-CG2 3.71Å; I449-I452 HydrophobicContact CG2-CG2 3.71Å; I452-L471 HydrophobicContact CB-CD1 4.38Å; I452-A472 WeakPolarHBondContact CA-O 3.22Å; I452-T473 HydrophobicContact CG2-CG2 3.86Å
453R93.9Very high83.3Confident57 Ų5740.4 Ų40.422%0.21524%0.237CC..EExtended strand (participates in β ladder)trans-151.9140.7176.1-161.6-179.1-174.6127.60111.1A472 V519 T520 N521 E563R453-A472 PolarHBondContact N-O 2.98Å; R453-A472 PolarHBondContact O-N 2.85Å; R453-V519 HydrophobicContact CB-CG1 4.02Å; R453-V519 WeakPolarHBondContact CD-O 3.01Å; R453-T520 VanDerWaalsContact CZ-OG1 3.22Å; R453-T520 PolarHBondContact NH1-OG1 2.89Å; R453-T520 VanDerWaalsContact NH1-OG1 3.12Å; R453-T520 PolarHBondContact NH2-OG1 2.82Å; R453-N521 PolarHBondContact NE-OD1 2.81Å; R453-E563 IonicContact CZ-OE1 3.43Å; R453-E563 IonicContact CZ-OE2 3.13Å; R453-E563 VanDerWaalsContact CZ-OE2 3.27Å; R453-E563 IonicContact NH1-OE1 3.7Å; R453-E563 PolarHBondContact NH1-OE1 2.9Å; R453-E563 IonicContact NH1-OE2 3.61Å; R453-E563 PolarHBondContact NH1-OE2 2.76Å; R453-E563 IonicContact NH2-OE1 2.65Å; R453-E563 IonicContact NH2-OE2 3.64Å; R453-E563 PolarHBondContact NH2-OE2 2.75Å
454F92.7Very high82Confident19 Ų1944.1 Ų44.18%0.08326%0.264CS..EExtended strand (participates in β ladder)trans-73.8132.6166.6-76.4-73.4000110.7A400 A402 W405 V407 L469 A470 L471 W503A400-F454 HydrophobicContact CB-CD2 3.96Å; A400-F454 HydrophobicContact CB-CE2 4.04Å; A402-F454 HydrophobicContact CB-CB 3.78Å; A402-F454 HydrophobicContact CB-CD1 3.96Å; A402-F454 HydrophobicContact CB-CD2 3.34Å; A402-F454 HydrophobicContact CB-CE1 4.35Å; A402-F454 HydrophobicContact CB-CE2 3.79Å; A402-F454 HydrophobicContact CB-CG 3.42Å; A402-F454 VanDerWaalsContact CB-CG 3.42Å; A402-F454 HydrophobicContact CB-CZ 4.25Å; W405-F454 HydrophobicContact CB-CZ 4Å; V407-F454 HydrophobicContact CB-CZ 4.39Å; V407-F454 HydrophobicContact CG2-CE1 4.35Å; V407-F454 HydrophobicContact CG2-CE2 4.24Å; V407-F454 HydrophobicContact CG2-CZ 3.61Å; F454-L469 HydrophobicContact CB-CD1 4.03Å; F454-L469 HydrophobicContact CD1-CD1 3.65Å; F454-L469 HydrophobicContact CD1-CD2 4.41Å; F454-L469 HydrophobicContact CD1-CG 4.06Å; F454-L469 HydrophobicContact CE1-CD1 4.43Å; F454-L469 HydrophobicContact CE1-CD2 4.43Å; F454-L469 HydrophobicContact CE1-CG 4.44Å; F454-L469 HydrophobicContact CG-CD1 4.14Å; F454-A470 CarbonylContact C-O 3.59Å; F454-A470 WeakPolarHBondContact CA-O 3.3Å; F454-L471 HydrophobicContact CD1-CB 4.24Å; F454-L471 HydrophobicContact CD1-CD1 4.22Å; F454-L471 HydrophobicContact CD2-CD1 4.42Å; F454-L471 HydrophobicContact CE1-CB 4.14Å; F454-L471 HydrophobicContact CE1-CD1 4.18Å; F454-L471 HydrophobicContact CE2-CD1 4.37Å; F454-L471 HydrophobicContact CG-CD1 4.37Å; F454-L471 HydrophobicContact CZ-CD1 4.27Å; F454-W503 AromaticContact CE1-CH2 3.84Å; F454-W503 HydrophobicContact CE1-CH2 3.84Å; F454-W503 HydrophobicContact CE1-CZ2 4.41Å; F454-W503 HydrophobicContact CE1-CZ3 4.46Å
455V89.7Confident81.3Confident0 Ų047.6 Ų47.60%027%0.274CS..EExtended strand (participates in β ladder)trans-120.1123.1176.9-176.70000107.6L458 A470 A472 F482 N521 V528V455-L458 HydrophobicContact CB-CD1 4.42Å; V455-L458 HydrophobicContact CG1-CD1 4.14Å; V455-L458 HydrophobicContact CG1-CD2 3.93Å; V455-L458 HydrophobicContact CG1-CG 4Å; V455-A470 PolarHBondContact N-O 2.98Å; V455-A470 PolarHBondContact O-N 2.65Å; V455-A472 HydrophobicContact CG2-CB 3.73Å; V455-F482 HydrophobicContact CG2-CE1 4.44Å; V455-N521 HydrophobicContact CG1-CB 4.15Å; V455-V528 HydrophobicContact CG1-CG2 3.71Å
456N84.3Confident80.9Confident44 Ų4447.5 Ų47.524%0.23527%0.265CS..EExtended strand (participates in β ladder)trans-101.2156.7177.5-80.5-38000111L469 L525N456-L469 WeakPolarHBondContact OD1-CD1 3.45Å; N456-L525 HydrophobicContact CB-CD1 3.76Å; N456-L525 HydrophobicContact CB-CD2 3.87Å; N456-L525 HydrophobicContact CB-CG 4.43Å
457G78.4Confident80.9Confident12 Ų1250.3 Ų50.312%0.12428%0.276CS..EExtended strand (participates in β ladder)trans88.69170.500000114.9Y468G457-Y468 PolarHBondContact N-O 2.8Å
458L82Confident80.7Confident0 Ų050.7 Ų50.70%028%0.276CS..EExtended strand (participates in β ladder)trans-74.3139.3179.1-58.7-177.5000111.5V455 F460 T467 Y468 A470 F482 V528 S541 L544V455-L458 HydrophobicContact CB-CD1 4.42Å; V455-L458 HydrophobicContact CG1-CD1 4.14Å; V455-L458 HydrophobicContact CG1-CD2 3.93Å; V455-L458 HydrophobicContact CG1-CG 4Å; L458-F460 HydrophobicContact CB-CD2 4.25Å; L458-F460 HydrophobicContact CB-CE2 3.68Å; L458-F460 HydrophobicContact CB-CZ 4.01Å; L458-F460 HydrophobicContact CD1-CE1 4.44Å; L458-F460 HydrophobicContact CD1-CE2 3.93Å; L458-F460 HydrophobicContact CD1-CZ 3.54Å; L458-F460 HydrophobicContact CG-CE2 4.47Å; L458-F460 HydrophobicContact CG-CZ 4.43Å; L458-T467 CarbonylContact O-C 3.34Å; L458-T467 WeakPolarHBondContact O-CA 3.41Å; L458-Y468 WeakPolarHBondContact O-CD2 2.89Å; L458-Y468 PolarHBondContact O-N 3.17Å; L458-A470 HydrophobicContact CD1-CB 3.57Å; L458-F482 HydrophobicContact CD1-CD1 3.58Å; L458-F482 HydrophobicContact CD1-CE1 3.97Å; L458-F482 HydrophobicContact CD1-CG 4.5Å; L458-V528 HydrophobicContact CD2-CG2 4.16Å; L458-S541 VanDerWaalsContact CA-O 3.3Å; L458-S541 WeakPolarHBondContact CA-O 3.24Å; L458-S541 WeakPolarHBondContact CD2-O 3.4Å; L458-L544 HydrophobicContact CD1-CD1 4.4Å; L458-L544 HydrophobicContact CD2-CD2 3.79Å; L458-L544 HydrophobicContact CD2-CG 4.25Å
459T80.2Confident80.7Confident21 Ų2151.1 Ų51.113%0.12928%0.277CS..  trans-119.990.2176.863.60000110.8K466 T467 N542T459-K466 WeakPolarHBondContact CG2-O 3.49Å; T459-T467 HydrophobicContact CG2-CG2 3.92Å; T459-N542 CarbonylContact C-O 3.6Å; T459-N542 VanDerWaalsContact C-O 3.22Å; T459-N542 WeakPolarHBondContact CA-O 3.06Å; T459-N542 WeakPolarHBondContact CB-O 3.43Å; T459-N542 PolarHBondContact N-O 3.2Å; T459-N542 WeakPolarHBondContact OG1-CA 3.19Å; T459-N542 PolarHBondContact OG1-O 3.4Å
460F74.5Confident80.7Confident48 Ų4850.6 Ų50.621%0.21128%0.275CS..  trans-80.8-16.9-176.2-65.4-79.2000114.6L458 Y468 A470 F482 T484 R506 T507 L544L458-F460 HydrophobicContact CB-CD2 4.25Å; L458-F460 HydrophobicContact CB-CE2 3.68Å; L458-F460 HydrophobicContact CB-CZ 4.01Å; L458-F460 HydrophobicContact CD1-CE1 4.44Å; L458-F460 HydrophobicContact CD1-CE2 3.93Å; L458-F460 HydrophobicContact CD1-CZ 3.54Å; L458-F460 HydrophobicContact CG-CE2 4.47Å; L458-F460 HydrophobicContact CG-CZ 4.43Å; F460-Y468 HydrophobicContact CB-CE2 4.5Å; F460-Y468 AromaticContact CD2-CD2 3.71Å; F460-Y468 HydrophobicContact CD2-CD2 3.71Å; F460-Y468 HydrophobicContact CD2-CE2 4.42Å; F460-Y468 AromaticContact CD2-CG 3.96Å; F460-Y468 HydrophobicContact CD2-CG 3.96Å; F460-Y468 HydrophobicContact CE2-CG 4.44Å; F460-A470 HydrophobicContact CE2-CB 4.35Å; F460-A470 HydrophobicContact CZ-CB 4.38Å; F460-F482 HydrophobicContact CE1-CB 4.41Å; F460-F482 HydrophobicContact CZ-CB 4.12Å; F460-T484 HydrophobicContact CD2-CG2 4.01Å; F460-T484 HydrophobicContact CE2-CG2 3.35Å; F460-T484 HydrophobicContact CZ-CG2 3.98Å; F460-R506 HydrophobicContact CB-CG 4.42Å; F460-R506 VanDerWaalsContact CB-NH2 3.31Å; F460-R506 HydrophobicContact CD1-CG 3.84Å; F460-R506 HydrophobicContact CE1-CB 4.38Å; F460-R506 HydrophobicContact CE1-CG 4.16Å; F460-R506 HydrophobicContact CG-CG 4.02Å; F460-T507 HydrophobicContact CD1-CG2 4.46Å; F460-T507 HydrophobicContact CE1-CG2 3.74Å; F460-L544 HydrophobicContact CD1-CD1 4.45Å; F460-L544 HydrophobicContact CE1-CD1 3.62Å; F460-L544 HydrophobicContact CZ-CD1 4.23Å
461D72.4Confident81Confident68 Ų6849.4 Ų49.436%0.36427%0.266SS..SBendtrans-102.2161.6-177.1-67-47.5000111.9N463 Y468 R506D461-N463 PolarHBondContact O-N 3.47Å; D461-Y468 PolarHBondContact OD2-OH 3.34Å; D461-R506 IonicContact OD1-CZ 3.12Å; D461-R506 IonicContact OD1-NH2 2.75Å; D461-R506 PolarHBondContact OD1-NH2 3.32Å; D461-R506 IonicContact OD2-CZ 3.94Å; D461-R506 IonicContact OD2-NH1 3.1Å; D461-R506 IonicContact OD2-NH2 2.66Å; D461-R506 PolarHBondContact OD2-NH2 3.28Å
462S63.5Low81.1Confident132 Ų13248.9 Ų48.992%0.92326%0.263SS*.SBendtrans-59.1-8.4173.1-33.20000113.6P464S462-P464 WeakPolarHBondContact O-CD 3.37Å
463N65.2Low81.2Confident94 Ų9448.1 Ų48.150%0.50326%0.259SS..  trans-94.599.4176.3-166.1-3.7000110.7D461 K465 K466D461-N463 PolarHBondContact O-N 3.47Å; N463-K465 PolarHBondContact O-N 3.39Å; N463-K466 PolarHBondContact O-N 2.83Å
464P62.1Low81.3Confident103 Ų10345.4 Ų45.467%0.66925%0.249SC*.THydrogen-bonded Turntrans-67.9-6.8-17127.9-36.4000114.4S462S462-P464 WeakPolarHBondContact O-CD 3.37Å
465K68.6Low81.3Confident187 Ų18744.5 Ų44.581%0.81325%0.245SC*.THydrogen-bonded Turntrans-88.7-12.9179.9-67.4-173.1179.1-178.20113.8N463N463-K465 PolarHBondContact O-N 3.39Å
466K73.6Confident81.4Confident81 Ų8147.7 Ų47.735%0.35226%0.261SS..  trans-100.5109.7-174.4-169.9168.7-178.1176.20110.3T459 N463 Y468 E487T459-K466 WeakPolarHBondContact CG2-O 3.49Å; N463-K466 PolarHBondContact O-N 2.83Å; K466-Y468 HydrophobicContact CD-CE2 4.43Å; K466-Y468 WeakPolarHBondContact CD-OH 3.44Å; K466-Y468 WeakPolarHBondContact CE-OH 3.12Å; K466-Y468 HydrophobicContact CG-CE2 4.09Å; K466-E487 WeakPolarHBondContact CE-OE1 3.43Å; K466-E487 IonicContact NZ-OE1 3.66Å; K466-E487 PolarHBondContact NZ-OE1 3.21Å; K466-E487 IonicContact NZ-OE2 3.98Å; K466-E487 PolarHBondContact NZ-OE2 3.43Å
467T76.4Confident81.7Confident94 Ų9448.8 Ų48.858%0.57727%0.267SS*.  trans-97.1144175.252.60000110.8L458 T459L458-T467 CarbonylContact O-C 3.34Å; L458-T467 WeakPolarHBondContact O-CA 3.41Å; T459-T467 HydrophobicContact CG2-CG2 3.92Å
468Y81.3Confident82.4Confident17 Ų1748.3 Ų48.37%0.06726%0.262CS..EExtended strand (participates in β ladder)trans-110.8141.3-179.6-66.6-87.5000110.2G457 L458 F460 D461 K466 E487 R506G457-Y468 PolarHBondContact N-O 2.8Å; L458-Y468 WeakPolarHBondContact O-CD2 2.89Å; L458-Y468 PolarHBondContact O-N 3.17Å; F460-Y468 HydrophobicContact CB-CE2 4.5Å; F460-Y468 AromaticContact CD2-CD2 3.71Å; F460-Y468 HydrophobicContact CD2-CD2 3.71Å; F460-Y468 HydrophobicContact CD2-CE2 4.42Å; F460-Y468 AromaticContact CD2-CG 3.96Å; F460-Y468 HydrophobicContact CD2-CG 3.96Å; F460-Y468 HydrophobicContact CE2-CG 4.44Å; D461-Y468 PolarHBondContact OD2-OH 3.34Å; K466-Y468 HydrophobicContact CD-CE2 4.43Å; K466-Y468 WeakPolarHBondContact CD-OH 3.44Å; K466-Y468 WeakPolarHBondContact CE-OH 3.12Å; K466-Y468 HydrophobicContact CG-CE2 4.09Å; Y468-E487 VanDerWaalsContact CE1-OE1 3.3Å; Y468-E487 WeakPolarHBondContact CE1-OE1 3.41Å; Y468-E487 PolarHBondContact OH-OE2 3.44Å; Y468-R506 VanDerWaalsContact CZ-NH1 3.29Å
469L87.2Confident83Confident34 Ų3452.1 Ų52.118%0.17828%0.277CS..EExtended strand (participates in β ladder)trans-77.5119.9155.817268000106.5A402 F454 N456 W503A402-L469 HydrophobicContact CB-CD1 4.08Å; A402-L469 HydrophobicContact CB-CD2 4.42Å; F454-L469 HydrophobicContact CB-CD1 4.03Å; F454-L469 HydrophobicContact CD1-CD1 3.65Å; F454-L469 HydrophobicContact CD1-CD2 4.41Å; F454-L469 HydrophobicContact CD1-CG 4.06Å; F454-L469 HydrophobicContact CE1-CD1 4.43Å; F454-L469 HydrophobicContact CE1-CD2 4.43Å; F454-L469 HydrophobicContact CE1-CG 4.44Å; F454-L469 HydrophobicContact CG-CD1 4.14Å; N456-L469 WeakPolarHBondContact OD1-CD1 3.45Å; L469-W503 HydrophobicContact CD2-CH2 4.37Å; L469-W503 HydrophobicContact CG-CH2 4.33Å
470A92Very high83.7Confident0 Ų051.1 Ų51.10%027%0.271CS..EExtended strand (participates in β ladder)trans-119.5150.4175.600000110.4F454 V455 L458 F460 W483 T484F454-A470 CarbonylContact C-O 3.59Å; F454-A470 WeakPolarHBondContact CA-O 3.3Å; V455-A470 PolarHBondContact N-O 2.98Å; V455-A470 PolarHBondContact O-N 2.65Å; L458-A470 HydrophobicContact CD1-CB 3.57Å; F460-A470 HydrophobicContact CE2-CB 4.35Å; F460-A470 HydrophobicContact CZ-CB 4.38Å; A470-W483 CarbonylContact C-O 3.57Å; A470-W483 WeakPolarHBondContact CA-O 3.39Å; A470-W483 WeakPolarHBondContact CB-O 3.49Å; A470-T484 HydrophobicContact CB-CG2 3.85Å
471L95.7Very high84.7Confident0 Ų049.2 Ų49.20%026%0.263CS..EExtended strand (participates in β ladder)trans-95.2126.7162178.584.3000107.9V407 L423 F425 I452 F454 T473 F482 W483 W503V407-L471 HydrophobicContact CB-CD1 4.12Å; V407-L471 HydrophobicContact CB-CD2 4.34Å; V407-L471 HydrophobicContact CG1-CD1 4.12Å; V407-L471 HydrophobicContact CG1-CD2 3.64Å; V407-L471 HydrophobicContact CG2-CD1 4.11Å; V407-L471 HydrophobicContact CG2-CD2 4.13Å; L423-L471 HydrophobicContact CD1-CD2 4.02Å; L423-L471 HydrophobicContact CD2-CD2 3.92Å; L423-L471 HydrophobicContact CG-CD2 4.39Å; F425-L471 HydrophobicContact CE1-CB 4.14Å; F425-L471 HydrophobicContact CE1-CD2 3.69Å; F425-L471 HydrophobicContact CZ-CD2 3.64Å; I452-L471 HydrophobicContact CB-CD1 4.38Å; F454-L471 HydrophobicContact CD1-CB 4.24Å; F454-L471 HydrophobicContact CD1-CD1 4.22Å; F454-L471 HydrophobicContact CD2-CD1 4.42Å; F454-L471 HydrophobicContact CE1-CB 4.14Å; F454-L471 HydrophobicContact CE1-CD1 4.18Å; F454-L471 HydrophobicContact CE2-CD1 4.37Å; F454-L471 HydrophobicContact CG-CD1 4.37Å; F454-L471 HydrophobicContact CZ-CD1 4.27Å; L471-T473 HydrophobicContact CD2-CG2 3.68Å; L471-T473 HydrophobicContact CG-CG2 4.13Å; L471-F482 CarbonylContact O-C 3.59Å; L471-F482 WeakPolarHBondContact O-CA 3.31Å; L471-W483 HydrophobicContact CB-CB 4.25Å; L471-W483 HydrophobicContact CD2-CG 4.49Å; L471-W483 PolarHBondContact N-O 2.95Å; L471-W483 VanDerWaalsContact O-CD1 3.32Å; L471-W483 PolarHBondContact O-N 2.97Å; L471-W503 HydrophobicContact CB-CZ3 4.31Å
472A95.6Very high85.8Confident0 Ų046 Ų460%025%0.246CC..EExtended strand (participates in β ladder)trans-97.1133.7167.900000109.6I452 R453 V455 N481 F482 V519I452-A472 WeakPolarHBondContact CA-O 3.22Å; R453-A472 PolarHBondContact N-O 2.98Å; R453-A472 PolarHBondContact O-N 2.85Å; V455-A472 HydrophobicContact CG2-CB 3.73Å; A472-N481 CarbonylContact C-O 3.55Å; A472-N481 WeakPolarHBondContact CA-O 3.4Å; A472-F482 HydrophobicContact CB-CD1 3.93Å; A472-F482 HydrophobicContact CB-CE1 3.72Å; A472-F482 HydrophobicContact CB-CZ 4.26Å; A472-V519 HydrophobicContact CB-CB 4.5Å; A472-V519 HydrophobicContact CB-CG1 3.83Å; A472-V519 HydrophobicContact CB-CG2 4Å
473T96.5Very high87.3Confident0 Ų040.8 Ų40.80%021%0.206CC..EExtended strand (participates in β ladder)trans-124.7121.7174.9610000109.4L423 Y443 S451 I452 L471 V480 N481 W483L423-T473 HydrophobicContact CD1-CG2 4.28Å; L423-T473 HydrophobicContact CD2-CG2 4.02Å; Y443-T473 PolarHBondContact OH-OG1 2.9Å; Y443-T473 VanDerWaalsContact OH-OG1 3.05Å; S451-T473 WeakPolarHBondContact O-CA 3.36Å; I452-T473 HydrophobicContact CG2-CG2 3.86Å; L471-T473 HydrophobicContact CD2-CG2 3.68Å; L471-T473 HydrophobicContact CG-CG2 4.13Å; T473-V480 CarbonylContact O-C 3.5Å; T473-V480 VanDerWaalsContact O-CA 3.31Å; T473-V480 WeakPolarHBondContact O-CA 3.35Å; T473-N481 PolarHBondContact N-O 3.46Å; T473-N481 PolarHBondContact O-N 3.18Å; T473-N481 WeakPolarHBondContact OG1-CB 3.08Å; T473-N481 PolarHBondContact OG1-O 2.91Å; T473-W483 PolarHBondContact OG1-NE1 2.7Å
474T95.3Very high88.6Confident0 Ų036.3 Ų36.30%018%0.182CC..EExtended strand (participates in β ladder)trans-95.8139.1174.357.60000110.4I449 S450 S451 V480 A516 S517 V519 I530I449-T474 CarbonylContact C-O 3.56Å; I449-T474 WeakPolarHBondContact CA-O 3.44Å; S450-T474 PolarHBondContact N-O 2.67Å; S450-T474 PolarHBondContact OG-O 2.6Å; S450-T474 PolarHBondContact OG-OG1 2.85Å; S451-T474 VanDerWaalsContact CB-OG1 3.31Å; S451-T474 WeakPolarHBondContact CB-OG1 3.43Å; S451-T474 PolarHBondContact N-OG1 3.11Å; S451-T474 PolarHBondContact O-N 3.38Å; S451-T474 PolarHBondContact O-OG1 2.82Å; T474-V480 HydrophobicContact CG2-CG1 4.01Å; T474-V480 HydrophobicContact CG2-CG2 3.91Å; T474-A516 HydrophobicContact CG2-CB 4.27Å; T474-S517 PolarHBondContact OG1-O 2.66Å; T474-V519 HydrophobicContact CG2-CB 3.74Å; T474-V519 HydrophobicContact CG2-CG1 3.84Å; T474-I530 HydrophobicContact CG2-CG2 4.44Å
475C93.7Very high90Very high0 Ų034.4 Ų34.40%016%0.164CC..EExtended strand (participates in β ladder)trans-124.5144.4-177.7-580000111.4T447 V448 D477 G478 R479 A516T447-C475 HydrophobicContact CG2-CB 4.1Å; V448-C475 CarbonylContact O-C 3.57Å; V448-C475 WeakPolarHBondContact O-CA 3.12Å; C475-D477 WeakPolarHBondContact CB-OD1 3.36Å; C475-D477 PolarHBondContact O-N 2.62Å; C475-G478 PolarHBondContact O-N 3.17Å; C475-R479 WeakPolarHBondContact CB-O 3.42Å; C475-R479 PolarHBondContact N-O 3.13Å; C475-A516 CarbonylContact C-O 3.57Å; C475-A516 WeakPolarHBondContact O-CB 3.35Å; C475-A516 PolarHBondContact O-N 3.2Å; C475-A516 VanDerWaalsContact O-N 3.09Å
476L90.5Very high90.7Very high66 Ų6626.1 Ų26.135%0.34613%0.129SC..THydrogen-bonded Turntrans-69.6-11178.8-62.1-174.8000113.5V448 G478 P515V448-L476 HydrophobicContact CB-CB 4.09Å; V448-L476 HydrophobicContact CB-CD1 3.84Å; V448-L476 HydrophobicContact CB-CG 3.98Å; V448-L476 HydrophobicContact CG1-CD1 3.77Å; V448-L476 HydrophobicContact CG1-CG 4.16Å; V448-L476 HydrophobicContact CG2-CD1 4.29Å; V448-L476 PolarHBondContact O-N 3.05Å; L476-G478 PolarHBondContact O-N 2.7Å; L476-P515 HydrophobicContact CD2-CB 4.37Å; L476-P515 WeakPolarHBondContact O-CB 3.3Å
477D90.9Very high90.8Very high67 Ų6725.6 Ų25.636%0.35813%0.128SC..THydrogen-bonded Turntrans-76.8-0.3167.968.61.8000113.1T447 C475 R479T447-D477 WeakPolarHBondContact CG2-OD2 3.39Å; C475-D477 WeakPolarHBondContact CB-OD1 3.36Å; C475-D477 PolarHBondContact O-N 2.62Å; D477-R479 WeakPolarHBondContact OD1-CB 3.5Å; D477-R479 PolarHBondContact OD1-N 3.32Å; D477-R479 IonicContact OD1-NE 3.72Å; D477-R479 IonicContact OD2-CZ 2.74Å; D477-R479 IonicContact OD2-NE 2.7Å; D477-R479 PolarHBondContact OD2-NE 3.48Å; D477-R479 IonicContact OD2-NH2 3.18Å; D477-R479 PolarHBondContact OD2-NH2 3.46Å
478G92.7Very high90.3Very high2 Ų228.8 Ų28.82%0.02114%0.136CC..SBendtrans91.30.917800000115.1C475 L476 L514C475-G478 PolarHBondContact O-N 3.17Å; L476-G478 PolarHBondContact O-N 2.7Å; G478-L514 WeakPolarHBondContact CA-O 3.35Å
479R95.1Very high89.4Confident80 Ų8032.4 Ų32.430%0.30216%0.156SC..EExtended strand (participates in β ladder)trans-84.7140.4175.8-66.4-176-73.2179-4.4111.8T447 C475 D477 T508 T510T447-R479 PolarHBondContact OG1-NH2 2.85Å; C475-R479 WeakPolarHBondContact CB-O 3.42Å; C475-R479 PolarHBondContact N-O 3.13Å; D477-R479 WeakPolarHBondContact OD1-CB 3.5Å; D477-R479 PolarHBondContact OD1-N 3.32Å; D477-R479 IonicContact OD1-NE 3.72Å; D477-R479 IonicContact OD2-CZ 2.74Å; D477-R479 IonicContact OD2-NE 2.7Å; D477-R479 PolarHBondContact OD2-NE 3.48Å; D477-R479 IonicContact OD2-NH2 3.18Å; D477-R479 PolarHBondContact OD2-NH2 3.46Å; R479-T508 HydrophobicContact CB-CG2 3.97Å; R479-T508 HydrophobicContact CG-CG2 4.06Å; R479-T510 HydrophobicContact CG-CG2 4.12Å
480V96Very high87.8Confident0 Ų038.5 Ų38.50%019%0.189CC..EExtended strand (participates in β ladder)trans-122.6108.8167.3-174.20000109.1T473 T474 F482 T508 L509 A516 I530 F532T473-V480 CarbonylContact O-C 3.5Å; T473-V480 VanDerWaalsContact O-CA 3.31Å; T473-V480 WeakPolarHBondContact O-CA 3.35Å; T474-V480 HydrophobicContact CG2-CG1 4.01Å; T474-V480 HydrophobicContact CG2-CG2 3.91Å; V480-F482 HydrophobicContact CG1-CE2 3.86Å; V480-F482 HydrophobicContact CG1-CZ 4.29Å; V480-T508 CarbonylContact O-C 3.16Å; V480-T508 WeakPolarHBondContact O-CA 3.36Å; V480-L509 HydrophobicContact CB-CB 4.43Å; V480-L509 PolarHBondContact N-O 2.91Å; V480-L509 PolarHBondContact O-N 3Å; V480-A516 HydrophobicContact CG2-CB 3.52Å; V480-I530 HydrophobicContact CB-CD1 4.47Å; V480-I530 HydrophobicContact CG1-CD1 4.09Å; V480-I530 HydrophobicContact CG2-CD1 4.48Å; V480-I530 HydrophobicContact CG2-CG2 3.85Å; V480-F532 HydrophobicContact CG2-CE1 4.02Å; V480-F532 HydrophobicContact CG2-CZ 3.76Å
481N95.4Very high86.2Confident9 Ų943.6 Ų43.65%0.04822%0.217CC..EExtended strand (participates in β ladder)trans-97.8136.3-176.8-53.8-47.6000110.2Y443 A472 T473 W483 T508Y443-N481 PolarHBondContact OH-ND2 3.41Å; A472-N481 CarbonylContact C-O 3.55Å; A472-N481 WeakPolarHBondContact CA-O 3.4Å; T473-N481 PolarHBondContact N-O 3.46Å; T473-N481 PolarHBondContact O-N 3.18Å; T473-N481 WeakPolarHBondContact OG1-CB 3.08Å; T473-N481 PolarHBondContact OG1-O 2.91Å; N481-W483 HydrophobicContact CB-CZ2 3.89Å; N481-T508 WeakPolarHBondContact OD1-CB 3.49Å; N481-T508 WeakPolarHBondContact OD1-CG2 3.33Å; N481-T508 PolarHBondContact OD1-OG1 3.11Å
482F94.9Very high84.2Confident0 Ų050.1 Ų50.10%025%0.251CS..EExtended strand (participates in β ladder)trans-109.6121.4171.7-68.4-97.7000109.5V455 L458 F460 L471 A472 V480 R506 T507 L509 V528 I530 L544V455-F482 HydrophobicContact CG2-CE1 4.44Å; L458-F482 HydrophobicContact CD1-CD1 3.58Å; L458-F482 HydrophobicContact CD1-CE1 3.97Å; L458-F482 HydrophobicContact CD1-CG 4.5Å; F460-F482 HydrophobicContact CE1-CB 4.41Å; F460-F482 HydrophobicContact CZ-CB 4.12Å; L471-F482 CarbonylContact O-C 3.59Å; L471-F482 WeakPolarHBondContact O-CA 3.31Å; A472-F482 HydrophobicContact CB-CD1 3.93Å; A472-F482 HydrophobicContact CB-CE1 3.72Å; A472-F482 HydrophobicContact CB-CZ 4.26Å; V480-F482 HydrophobicContact CG1-CE2 3.86Å; V480-F482 HydrophobicContact CG1-CZ 4.29Å; F482-R506 PolarHBondContact O-N 3.49Å; F482-T507 HydrophobicContact CB-CG2 3.88Å; F482-T507 HydrophobicContact CD2-CG2 3.93Å; F482-T507 HydrophobicContact CG-CG2 4.2Å; F482-T507 PolarHBondContact N-O 3.4Å; F482-L509 HydrophobicContact CD2-CD1 4.49Å; F482-L509 HydrophobicContact CD2-CG 4.49Å; F482-L509 HydrophobicContact CE2-CD1 3.65Å; F482-L509 HydrophobicContact CE2-CG 4.03Å; F482-L509 HydrophobicContact CZ-CD1 4.34Å; F482-V528 HydrophobicContact CZ-CG1 4.4Å; F482-I530 HydrophobicContact CZ-CD1 4.41Å; F482-L544 HydrophobicContact CD1-CD1 4.31Å; F482-L544 HydrophobicContact CD2-CD1 4.05Å; F482-L544 HydrophobicContact CE1-CD1 4.44Å; F482-L544 HydrophobicContact CE1-CD2 4.06Å; F482-L544 HydrophobicContact CE2-CD1 4.21Å; F482-L544 HydrophobicContact CE2-CD2 4.35Å; F482-L544 HydrophobicContact CG-CD1 4.1Å; F482-L544 HydrophobicContact CZ-CD1 4.4Å; F482-L544 HydrophobicContact CZ-CD2 3.88Å
483W95.1Very high82.7Confident22 Ų2255.1 Ų55.18%0.08328%0.278CS..EExtended strand (participates in β ladder)trans-107.3135.5-176.7-5080.5000109.8L423 F425 V441 Y443 A470 L471 T473 N481 W503 R504 C505L423-W483 HydrophobicContact CD2-CD2 4.11Å; L423-W483 HydrophobicContact CD2-CG 4.42Å; L423-W483 HydrophobicContact CD2-CZ2 4.28Å; F425-W483 HydrophobicContact CE1-CB 4.41Å; F425-W483 HydrophobicContact CZ-CB 3.9Å; F425-W483 HydrophobicContact CZ-CD2 4.42Å; F425-W483 HydrophobicContact CZ-CG 4.08Å; V441-W483 HydrophobicContact CB-CZ3 4.36Å; V441-W483 HydrophobicContact CG1-CH2 3.67Å; V441-W483 HydrophobicContact CG1-CZ3 3.84Å; V441-W483 HydrophobicContact CG2-CE3 4.38Å; V441-W483 HydrophobicContact CG2-CH2 4.48Å; V441-W483 HydrophobicContact CG2-CZ3 3.86Å; Y443-W483 HydrophobicContact CE2-CZ2 4.23Å; Y443-W483 AromaticContact CZ-CZ2 3.94Å; Y443-W483 VanDerWaalsContact OH-CZ2 3.3Å; Y443-W483 WeakPolarHBondContact OH-CZ2 3.31Å; A470-W483 CarbonylContact C-O 3.57Å; A470-W483 WeakPolarHBondContact CA-O 3.39Å; A470-W483 WeakPolarHBondContact CB-O 3.49Å; L471-W483 HydrophobicContact CB-CB 4.25Å; L471-W483 HydrophobicContact CD2-CG 4.49Å; L471-W483 PolarHBondContact N-O 2.95Å; L471-W483 VanDerWaalsContact O-CD1 3.32Å; L471-W483 PolarHBondContact O-N 2.97Å; T473-W483 PolarHBondContact OG1-NE1 2.7Å; N481-W483 HydrophobicContact CB-CZ2 3.89Å; W483-W503 HydrophobicContact CB-CE3 4.18Å; W483-W503 WeakPolarHBondContact O-CZ3 3.31Å; W483-R504 CarbonylContact C-O 3.5Å; W483-R504 VanDerWaalsContact CA-O 3.27Å; W483-R504 WeakPolarHBondContact CA-O 3.34Å; W483-C505 HydrophobicContact CD2-CB 4.12Å; W483-C505 HydrophobicContact CE3-CB 3.72Å; W483-C505 HydrophobicContact CH2-CB 3.74Å; W483-C505 HydrophobicContact CZ2-CB 4.16Å; W483-C505 HydrophobicContact CZ3-CB 3.53Å
484T92.7Very high81.3Confident0 Ų060.6 Ų60.60%031%0.307CS..EExtended strand (participates in β ladder)trans-137.6159.3175.960.70000110.8F460 A470 R504 R506F460-T484 HydrophobicContact CD2-CG2 4.01Å; F460-T484 HydrophobicContact CE2-CG2 3.35Å; F460-T484 HydrophobicContact CZ-CG2 3.98Å; A470-T484 HydrophobicContact CB-CG2 3.85Å; T484-R504 PolarHBondContact N-O 2.94Å; T484-R504 PolarHBondContact O-N 2.95Å; T484-R506 WeakPolarHBondContact OG1-CD 3.36Å
485Q90.1Very high79.8Confident64 Ų6468.6 Ų68.630%0.29935%0.345SS..EExtended strand (participates in β ladder)trans-66.9142.9172-58.6-164.7-85.800111.7G501 A502 W503Q485-G501 PolarHBondContact NE2-O 2.74Å; Q485-A502 CarbonylContact C-O 3.52Å; Q485-A502 WeakPolarHBondContact CA-O 3.48Å; Q485-W503 HydrophobicContact CG-CD2 3.89Å; Q485-W503 HydrophobicContact CG-CE3 4.41Å; Q485-W503 HydrophobicContact CG-CG 4.31Å; Q485-W503 HydrophobicContact CG-CH2 4.33Å; Q485-W503 HydrophobicContact CG-CZ2 3.8Å
486T83.9Confident78.3Confident12 Ų1272.1 Ų72.17%0.07436%0.362CS..PPolyproline II helixtrans-79.1135.4175.1-45.60000109.4M496 L499 G501 A502 R504T486-M496 HydrophobicContact CG2-SD 4.27Å; T486-L499 WeakPolarHBondContact CB-O 3.39Å; T486-G501 PolarHBondContact O-N 3.24Å; T486-A502 PolarHBondContact N-O 2.86Å; T486-A502 PolarHBondContact OG1-O 2.87Å; T486-R504 VanDerWaalsContact OG1-CD 3.28Å; T486-R504 WeakPolarHBondContact OG1-CD 3.16Å; T486-R504 WeakPolarHBondContact OG1-CG 3.46Å
487E76.8Confident77Confident71 Ų7174 Ų7433%0.33237%0.368SS..PPolyproline II helixtrans-96.5159.6-178.1-51.3-161.4137.100111.2K466 Y468 N489K466-E487 WeakPolarHBondContact CE-OE1 3.43Å; K466-E487 IonicContact NZ-OE1 3.66Å; K466-E487 PolarHBondContact NZ-OE1 3.21Å; K466-E487 IonicContact NZ-OE2 3.98Å; K466-E487 PolarHBondContact NZ-OE2 3.43Å; Y468-E487 VanDerWaalsContact CE1-OE1 3.3Å; Y468-E487 WeakPolarHBondContact CE1-OE1 3.41Å; Y468-E487 PolarHBondContact OH-OE2 3.44Å; E487-N489 PolarHBondContact O-N 3.26Å
488E64.6Low75.9Confident160 Ų16079.2 Ų79.275%0.74839%0.39SS*.  trans-63.3105167.7-69.4-177.4169.600109.1V500E488-V500 HydrophobicContact CG-CB 4.26Å; E488-V500 HydrophobicContact CG-CG1 3.35Å; E488-V500 HydrophobicContact CG-CG2 3.86Å
489N62.1Low74.9Confident93 Ų9383.6 Ų83.650%0.49741%0.412SS..  trans-82.7140.3165-83.3-5.6000109E487 D491E487-N489 PolarHBondContact O-N 3.26Å; N489-D491 PolarHBondContact O-N 2.76Å
490N53.4Low74.1Confident162 Ų16282.3 Ų82.387%0.86641%0.413SS*.SBendtrans-70.3-3.6175.2-75.2-25.9000113.4
491D59.2Low73.4Confident108 Ų10883.4 Ų83.458%0.57843%0.425SS*.SBendtrans-77.8133.1180-64.7-33.2000110.1N489 D493N489-D491 PolarHBondContact O-N 2.76Å; D491-D493 PolarHBondContact O-N 3.39Å
492N54.4Low73.1Confident136 Ų13684 Ų8473%0.72743%0.431SS*.  trans-72.228.8-172.4-79.6-37.9000114.6D494N492-D494 PolarHBondContact O-N 3.19Å; N492-D494 VanDerWaalsContact O-N 3.15Å
493D64.4Low73.1Confident106 Ų10684.4 Ų84.457%0.56743%0.432SS*.  trans-79102.2175.6-71.8-15.7000108.6D491 E495 M496 K497D491-D493 PolarHBondContact O-N 3.39Å; D493-E495 PolarHBondContact O-N 3.39Å; D493-E495 VanDerWaalsContact O-N 3.14Å; D493-M496 HydrophobicContact CB-CB 4.12Å; D493-M496 HydrophobicContact CB-CG 4.43Å; D493-M496 WeakPolarHBondContact O-CB 3.37Å; D493-M496 PolarHBondContact O-N 2.83Å; D493-K497 PolarHBondContact O-N 2.93Å
494D65.9Low72.9Confident114 Ų11488.5 Ų88.561%0.6145%0.448SS*.Hα-helixtrans-60.6-23.6-176.1-74.3-29.7000113.1N492 K497N492-D494 PolarHBondContact O-N 3.19Å; N492-D494 VanDerWaalsContact O-N 3.15Å; D494-K497 IonicContact OD1-NZ 2.6Å; D494-K497 PolarHBondContact OD1-NZ 3.09Å
495E64.9Low72.9Confident168 Ų16890.6 Ų90.679%0.78546%0.462SS*.Hα-helixtrans-69.9-39170.9-69.7-172.8169.400112.6D493 K497 Q498D493-E495 PolarHBondContact O-N 3.39Å; D493-E495 VanDerWaalsContact O-N 3.14Å; E495-K497 VanDerWaalsContact C-N 3.32Å; E495-K497 PolarHBondContact O-N 2.65Å; E495-Q498 PolarHBondContact O-N 2.82Å
496M61.4Low72.9Confident75 Ų7590.1 Ų90.137%0.36946%0.457SS..Hα-helixtrans-68-32.1178.4-94.4-84.2-176.300111.9T486 D493 Q498 L499 V500T486-M496 HydrophobicContact CG2-SD 4.27Å; D493-M496 HydrophobicContact CB-CB 4.12Å; D493-M496 HydrophobicContact CB-CG 4.43Å; D493-M496 WeakPolarHBondContact O-CB 3.37Å; D493-M496 PolarHBondContact O-N 2.83Å; M496-Q498 VanDerWaalsContact C-N 3.28Å; M496-Q498 PolarHBondContact O-N 2.86Å; M496-L499 PolarHBondContact O-N 3.35Å; M496-L499 VanDerWaalsContact O-N 3.13Å; M496-V500 PolarHBondContact O-N 3.26Å
497K63Low73.2Confident106 Ų10691.8 Ų91.846%0.46147%0.467SS..Hα-helixtrans-61.9-33.8176.2-69.7179-170.2153.60112.8D493 D494 E495 L499 V500D493-K497 PolarHBondContact O-N 2.93Å; D494-K497 IonicContact OD1-NZ 2.6Å; D494-K497 PolarHBondContact OD1-NZ 3.09Å; E495-K497 VanDerWaalsContact C-N 3.32Å; E495-K497 PolarHBondContact O-N 2.65Å; K497-L499 VanDerWaalsContact C-N 3.28Å; K497-L499 PolarHBondContact O-N 2.7Å; K497-V500 WeakPolarHBondContact O-CG2 3.43Å
498Q68.7Low74.1Confident176 Ų17691.4 Ų91.482%0.82247%0.47SS*.Hα-helixtrans-72.2-23177.3-67.4-17211.900113E495 M496E495-Q498 PolarHBondContact O-N 2.82Å; M496-Q498 VanDerWaalsContact C-N 3.28Å; M496-Q498 PolarHBondContact O-N 2.86Å
499L71.9Confident75.5Confident93 Ų9384.8 Ų84.849%0.48744%0.44SS..THydrogen-bonded Turntrans-92.2-0.9-178.9-67.5170000113.3T486 M496 K497 G501 A502T486-L499 WeakPolarHBondContact CB-O 3.39Å; M496-L499 PolarHBondContact O-N 3.35Å; M496-L499 VanDerWaalsContact O-N 3.13Å; K497-L499 VanDerWaalsContact C-N 3.28Å; K497-L499 PolarHBondContact O-N 2.7Å; L499-G501 PolarHBondContact O-N 2.91Å; L499-A502 HydrophobicContact CD2-CB 4.49Å; L499-A502 VanDerWaalsContact O-CB 3.28Å; L499-A502 WeakPolarHBondContact O-CB 3.5Å; L499-A502 PolarHBondContact O-N 3.43Å
500V77.5Confident77Confident54 Ų5484.6 Ų84.633%0.32744%0.442SS..THydrogen-bonded Turntrans-57124.3178.11720000109.7E488 M496 K497 A502E488-V500 HydrophobicContact CG-CB 4.26Å; E488-V500 HydrophobicContact CG-CG1 3.35Å; E488-V500 HydrophobicContact CG-CG2 3.86Å; M496-V500 PolarHBondContact O-N 3.26Å; K497-V500 WeakPolarHBondContact O-CG2 3.43Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 3.26Å
501G81.6Confident78.9Confident23 Ų2377.9 Ų77.924%0.23741%0.405CS..THydrogen-bonded Turntrans88-19.1-177.200000115.1Q485 T486 L499Q485-G501 PolarHBondContact NE2-O 2.74Å; T486-G501 PolarHBondContact O-N 3.24Å; L499-G501 PolarHBondContact O-N 2.91Å
502A88.8Confident80.5Confident21 Ų2181.2 Ų81.217%0.17441%0.41CS..  trans-69.1150.2177.400000111.5Q485 T486 L499 V500Q485-A502 CarbonylContact C-O 3.52Å; Q485-A502 WeakPolarHBondContact CA-O 3.48Å; T486-A502 PolarHBondContact N-O 2.86Å; T486-A502 PolarHBondContact OG1-O 2.87Å; L499-A502 HydrophobicContact CD2-CB 4.49Å; L499-A502 VanDerWaalsContact O-CB 3.28Å; L499-A502 WeakPolarHBondContact O-CB 3.5Å; L499-A502 PolarHBondContact O-N 3.43Å; V500-A502 VanDerWaalsContact C-N 3.31Å; V500-A502 PolarHBondContact O-N 3.26Å
503W94Very high82.1Confident9 Ų983.5 Ų83.53%0.03442%0.416CS..EExtended strand (participates in β ladder)trans-82.4130.4-179.9-72.580.6000111.7W405 F425 T439 F454 L469 L471 W483 Q485W405-W503 HydrophobicContact CB-CZ2 4.43Å; W405-W503 AromaticContact CD1-CZ2 3.9Å; W405-W503 AromaticContact CD2-CZ2 3.93Å; W405-W503 HydrophobicContact CD2-CZ2 3.93Å; W405-W503 AromaticContact CD2-NE1 3.69Å; W405-W503 AromaticContact CE2-NE1 3.86Å; W405-W503 HydrophobicContact CE3-CZ2 4.47Å; W405-W503 AromaticContact CE3-NE1 3.47Å; W405-W503 AromaticContact CG-CZ2 3.86Å; W405-W503 HydrophobicContact CG-CZ2 3.86Å; W405-W503 AromaticContact CH2-NE1 3.7Å; W405-W503 AromaticContact CZ2-NE1 3.94Å; W405-W503 AromaticContact CZ3-NE1 3.45Å; F425-W503 HydrophobicContact CB-CG 4.15Å; F425-W503 HydrophobicContact CD1-CB 3.84Å; F425-W503 AromaticContact CD1-CD1 3.57Å; F425-W503 AromaticContact CD1-CD2 3.28Å; F425-W503 HydrophobicContact CD1-CD2 3.28Å; F425-W503 AromaticContact CD1-CE2 3.58Å; F425-W503 AromaticContact CD1-CE3 3.81Å; F425-W503 HydrophobicContact CD1-CE3 3.81Å; F425-W503 AromaticContact CD1-CG 3.28Å; F425-W503 HydrophobicContact CD1-CG 3.28Å; F425-W503 HydrophobicContact CD1-CZ2 4.33Å; F425-W503 AromaticContact CD1-NE1 3.72Å; F425-W503 HydrophobicContact CD2-CB 3.83Å; F425-W503 HydrophobicContact CD2-CG 4.12Å; F425-W503 HydrophobicContact CE1-CB 3.85Å; F425-W503 AromaticContact CE1-CD2 3.33Å; F425-W503 HydrophobicContact CE1-CD2 3.33Å; F425-W503 AromaticContact CE1-CE3 3.34Å; F425-W503 HydrophobicContact CE1-CE3 3.34Å; F425-W503 AromaticContact CE1-CG 3.58Å; F425-W503 HydrophobicContact CE1-CG 3.58Å; F425-W503 HydrophobicContact CE1-CZ3 4.04Å; F425-W503 HydrophobicContact CE2-CB 3.84Å; F425-W503 HydrophobicContact CE2-CG 4.36Å; F425-W503 HydrophobicContact CG-CB 3.83Å; F425-W503 AromaticContact CG-CD1 3.67Å; F425-W503 HydrophobicContact CG-CD2 4.1Å; F425-W503 AromaticContact CG-CG 3.59Å; F425-W503 HydrophobicContact CG-CG 3.59Å; F425-W503 HydrophobicContact CZ-CB 3.85Å; F425-W503 HydrophobicContact CZ-CD2 4.19Å; F425-W503 HydrophobicContact CZ-CE3 4.1Å; F425-W503 HydrophobicContact CZ-CG 4.12Å; T439-W503 HydrophobicContact CG2-CB 4.19Å; T439-W503 PolarHBondContact OG1-N 2.94Å; F454-W503 AromaticContact CE1-CH2 3.84Å; F454-W503 HydrophobicContact CE1-CH2 3.84Å; F454-W503 HydrophobicContact CE1-CZ2 4.41Å; F454-W503 HydrophobicContact CE1-CZ3 4.46Å; L469-W503 HydrophobicContact CD2-CH2 4.37Å; L469-W503 HydrophobicContact CG-CH2 4.33Å; L471-W503 HydrophobicContact CB-CZ3 4.31Å; W483-W503 HydrophobicContact CB-CE3 4.18Å; W483-W503 WeakPolarHBondContact O-CZ3 3.31Å; Q485-W503 HydrophobicContact CG-CD2 3.89Å; Q485-W503 HydrophobicContact CG-CE3 4.41Å; Q485-W503 HydrophobicContact CG-CG 4.31Å; Q485-W503 HydrophobicContact CG-CH2 4.33Å; Q485-W503 HydrophobicContact CG-CZ2 3.8Å
504R91.8Very high83.5Confident108 Ų10881.2 Ų81.241%0.40840%0.403SS..EExtended strand (participates in β ladder)trans-132.1150.8177.168.5177.8-177.5105.3-4.3112.4W483 T484 T486 R506W483-R504 CarbonylContact C-O 3.5Å; W483-R504 VanDerWaalsContact CA-O 3.27Å; W483-R504 WeakPolarHBondContact CA-O 3.34Å; T484-R504 PolarHBondContact N-O 2.94Å; T484-R504 PolarHBondContact O-N 2.95Å; T486-R504 VanDerWaalsContact OG1-CD 3.28Å; T486-R504 WeakPolarHBondContact OG1-CD 3.16Å; T486-R504 WeakPolarHBondContact OG1-CG 3.46Å; R504-R506 PolarHBondContact O-N 2.78Å
505C92.6Very high84.7Confident44 Ų4478.4 Ų78.430%0.29739%0.391SS..EExtended strand (participates in β ladder)trans-68.4122.1171.3-171.40000109W483W483-C505 HydrophobicContact CD2-CB 4.12Å; W483-C505 HydrophobicContact CE3-CB 3.72Å; W483-C505 HydrophobicContact CH2-CB 3.74Å; W483-C505 HydrophobicContact CZ2-CB 4.16Å; W483-C505 HydrophobicContact CZ3-CB 3.53Å
506R89.5Confident86.1Confident53 Ų5370.4 Ų70.420%0.235%0.354CS..EExtended strand (participates in β ladder)trans-97.9-37.5-178.6-171.3155.8-170.6172.80.5112.6F460 D461 Y468 F482 T484 R504F460-R506 HydrophobicContact CB-CG 4.42Å; F460-R506 VanDerWaalsContact CB-NH2 3.31Å; F460-R506 HydrophobicContact CD1-CG 3.84Å; F460-R506 HydrophobicContact CE1-CB 4.38Å; F460-R506 HydrophobicContact CE1-CG 4.16Å; F460-R506 HydrophobicContact CG-CG 4.02Å; D461-R506 IonicContact OD1-CZ 3.12Å; D461-R506 IonicContact OD1-NH2 2.75Å; D461-R506 PolarHBondContact OD1-NH2 3.32Å; D461-R506 IonicContact OD2-CZ 3.94Å; D461-R506 IonicContact OD2-NH1 3.1Å; D461-R506 IonicContact OD2-NH2 2.66Å; D461-R506 PolarHBondContact OD2-NH2 3.28Å; Y468-R506 VanDerWaalsContact CZ-NH1 3.29Å; F482-R506 PolarHBondContact O-N 3.49Å; T484-R506 WeakPolarHBondContact OG1-CD 3.36Å; R504-R506 PolarHBondContact O-N 2.78Å
507T91.6Very high87.6Confident47 Ų4767.5 Ų67.529%0.28834%0.341SS..EExtended strand (participates in β ladder)trans-152.9154.5175.9-170.40000110.8F460 F482 L544F460-T507 HydrophobicContact CD1-CG2 4.46Å; F460-T507 HydrophobicContact CE1-CG2 3.74Å; F482-T507 HydrophobicContact CB-CG2 3.88Å; F482-T507 HydrophobicContact CD2-CG2 3.93Å; F482-T507 HydrophobicContact CG-CG2 4.2Å; F482-T507 PolarHBondContact N-O 3.4Å; T507-L544 HydrophobicContact CG2-CD1 3.61Å
508T94.1Very high89.1Confident64 Ų6464.2 Ų64.239%0.39333%0.327SS..EExtended strand (participates in β ladder)trans-127128.3174.8-61.20000108.5R479 V480 N481R479-T508 HydrophobicContact CB-CG2 3.97Å; R479-T508 HydrophobicContact CG-CG2 4.06Å; V480-T508 CarbonylContact O-C 3.16Å; V480-T508 WeakPolarHBondContact O-CA 3.36Å; N481-T508 WeakPolarHBondContact OD1-CB 3.49Å; N481-T508 WeakPolarHBondContact OD1-CG2 3.33Å; N481-T508 PolarHBondContact OD1-OG1 3.11Å
509L94.4Very high90.3Very high21 Ų2155.8 Ų55.811%0.1129%0.288CS..EExtended strand (participates in β ladder)trans-105.9151.3174.1-55.3-178.7000110.1V480 F482 I530 W539 L544V480-L509 HydrophobicContact CB-CB 4.43Å; V480-L509 PolarHBondContact N-O 2.91Å; V480-L509 PolarHBondContact O-N 3Å; F482-L509 HydrophobicContact CD2-CD1 4.49Å; F482-L509 HydrophobicContact CD2-CG 4.49Å; F482-L509 HydrophobicContact CE2-CD1 3.65Å; F482-L509 HydrophobicContact CE2-CG 4.03Å; F482-L509 HydrophobicContact CZ-CD1 4.34Å; L509-I530 HydrophobicContact CD1-CD1 4.21Å; L509-W539 HydrophobicContact CB-CH2 4.45Å; L509-W539 HydrophobicContact CD1-CD2 3.95Å; L509-W539 HydrophobicContact CD1-CE3 3.81Å; L509-W539 HydrophobicContact CD1-CH2 4.23Å; L509-W539 HydrophobicContact CD1-CZ2 4.38Å; L509-W539 HydrophobicContact CD1-CZ3 3.94Å; L509-W539 HydrophobicContact CD2-CH2 4.47Å; L509-W539 HydrophobicContact CD2-CZ3 4.1Å; L509-L544 HydrophobicContact CD1-CB 4.47Å
510T94.5Very high91.2Very high88 Ų8851.4 Ų51.454%0.5426%0.264SS..EExtended strand (participates in β ladder)trans-142148.417256.50000108.6R479R479-T510 HydrophobicContact CG-CG2 4.12Å
511F93.6Very high91.8Very high21 Ų2150.2 Ų50.29%0.09226%0.257CS..  trans-134.1110.5175.3-176.1-100.7000110.8E513 L514 F532 T535 T537 F546F511-E513 PolarHBondContact O-N 2.8Å; F511-L514 HydrophobicContact CD1-CD1 4.38Å; F511-L514 PolarHBondContact O-N 2.79Å; F511-L514 VanDerWaalsContact O-N 3.08Å; F511-F532 HydrophobicContact CB-CD1 4Å; F511-F532 HydrophobicContact CB-CD2 3.6Å; F511-F532 HydrophobicContact CB-CE1 3.9Å; F511-F532 HydrophobicContact CB-CE2 3.48Å; F511-F532 VanDerWaalsContact CB-CE2 3.48Å; F511-F532 HydrophobicContact CB-CG 3.85Å; F511-F532 HydrophobicContact CB-CZ 3.64Å; F511-F532 HydrophobicContact CD1-CB 4.24Å; F511-F532 HydrophobicContact CD1-CD2 4.17Å; F511-F532 HydrophobicContact CD1-CG 4.26Å; F511-F532 HydrophobicContact CG-CD2 4.16Å; F511-F532 HydrophobicContact CG-CE2 4.37Å; F511-F532 HydrophobicContact CG-CG 4.49Å; F511-T535 HydrophobicContact CE1-CG2 3.99Å; F511-T537 HydrophobicContact CB-CG2 4.38Å; F511-T537 HydrophobicContact CD1-CG2 3.63Å; F511-T537 HydrophobicContact CD2-CG2 3.78Å; F511-T537 HydrophobicContact CE1-CG2 3.7Å; F511-T537 HydrophobicContact CE2-CG2 3.84Å; F511-T537 HydrophobicContact CG-CG2 3.67Å; F511-T537 HydrophobicContact CZ-CG2 3.79Å; F511-F546 HydrophobicContact CD2-CE2 4.28Å; F511-F546 HydrophobicContact CE2-CD2 4.44Å; F511-F546 AromaticContact CE2-CE2 3.74Å; F511-F546 HydrophobicContact CE2-CE2 3.74Å; F511-F546 HydrophobicContact CE2-CZ 4.06Å; F511-F546 HydrophobicContact CZ-CE2 4.49Å
512R91.7Very high92.1Very high179 Ų17949.1 Ų49.168%0.67525%0.245SC*.THydrogen-bonded Turntrans51.729.2174.1-58.2-176.8175.3175.6-1.7114.6L514R512-L514 HydrophobicContact CB-CD1 4.39Å; R512-L514 HydrophobicContact CB-CG 4.3Å; R512-L514 PolarHBondContact O-N 2.87Å
513E89.2Confident91.6Very high183 Ų18352.8 Ų52.886%0.85526%0.259SS*.THydrogen-bonded Turntrans55.620.3-178.3-55.3177.5176.400113.8F511F511-E513 PolarHBondContact O-N 2.8Å
514L92.2Very high90.8Very high58 Ų5854.5 Ų54.530%0.30427%0.272SS..PPolyproline II helixtrans-79.7146.9175.7-70.5174.3000109.7G478 F511 R512 A516 F532G478-L514 WeakPolarHBondContact CA-O 3.35Å; F511-L514 HydrophobicContact CD1-CD1 4.38Å; F511-L514 PolarHBondContact O-N 2.79Å; F511-L514 VanDerWaalsContact O-N 3.08Å; R512-L514 HydrophobicContact CB-CD1 4.39Å; R512-L514 HydrophobicContact CB-CG 4.3Å; R512-L514 PolarHBondContact O-N 2.87Å; L514-A516 PolarHBondContact O-N 3.01Å; L514-F532 HydrophobicContact CB-CB 3.87Å; L514-F532 HydrophobicContact CB-CD1 4.48Å; L514-F532 HydrophobicContact CD1-CB 4.32Å; L514-F532 WeakPolarHBondContact O-CD1 3.3Å
515P92.5Very high90.2Very high55 Ų5552 Ų5236%0.35727%0.267SS..PPolyproline II helixtrans-63.9127.9177.326.4-34.2000110.2L476 F532 G533L476-P515 HydrophobicContact CD2-CB 4.37Å; L476-P515 WeakPolarHBondContact O-CB 3.3Å; P515-F532 CarbonylContact O-C 3.56Å; P515-F532 VanDerWaalsContact O-CA 3.27Å; P515-F532 WeakPolarHBondContact O-CA 3.34Å; P515-G533 PolarHBondContact O-N 2.86Å
516A94.4Very high89.8Confident0 Ų050.4 Ų50.40%026%0.256CS..EExtended strand (participates in β ladder)trans-84.1122.3176.400000109.1S450 T474 C475 V480 L514 A531 F532S450-A516 PolarHBondContact OG-O 3.45Å; T474-A516 HydrophobicContact CG2-CB 4.27Å; C475-A516 CarbonylContact C-O 3.57Å; C475-A516 WeakPolarHBondContact O-CB 3.35Å; C475-A516 PolarHBondContact O-N 3.2Å; C475-A516 VanDerWaalsContact O-N 3.09Å; V480-A516 HydrophobicContact CG2-CB 3.52Å; L514-A516 PolarHBondContact O-N 3.01Å; A516-A531 WeakPolarHBondContact CA-O 3.37Å; A516-F532 HydrophobicContact CB-CD1 3.82Å; A516-F532 HydrophobicContact CB-CE1 3.63Å; A516-F532 HydrophobicContact CB-CZ 4.43Å
517S92.1Very high89.7Confident15 Ų1547.9 Ų47.911%0.10525%0.246CC..EExtended strand (participates in β ladder)trans-105.4-39.3-173.961.70000113.6S450 S451 T474 A531 V559S450-S517 WeakPolarHBondContact CB-O 3.27Å; S450-S517 VanDerWaalsContact OG-CA 3.31Å; S450-S517 WeakPolarHBondContact OG-CA 2.96Å; S450-S517 PolarHBondContact OG-O 2.76Å; S451-S517 WeakPolarHBondContact CB-O 3.37Å; T474-S517 PolarHBondContact OG1-O 2.66Å; S517-A531 PolarHBondContact N-O 2.86Å; S517-A531 WeakPolarHBondContact OG-CB 3.36Å; S517-V559 VanDerWaalsContact CB-O 3.24Å; S517-V559 WeakPolarHBondContact CB-O 2.96Å; S517-V559 PolarHBondContact OG-O 3.32Å
518F93.6Very high89.7Confident36 Ų3645.7 Ų45.716%0.15823%0.233CC..EExtended strand (participates in β ladder)trans-152.3155-174.7-141.6-94000112.6S451 I530 A531 Q561 L562S451-F518 WeakPolarHBondContact OG-CE2 3.38Å; F518-I530 WeakPolarHBondContact O-CA 3.38Å; F518-A531 HydrophobicContact CB-CB 4.31Å; F518-A531 PolarHBondContact O-N 2.51Å; F518-Q561 HydrophobicContact CE1-CG 4.32Å; F518-Q561 HydrophobicContact CE2-CG 4.23Å; F518-Q561 HydrophobicContact CZ-CG 3.96Å; F518-L562 HydrophobicContact CB-CB 4.01Å; F518-L562 HydrophobicContact CD1-CB 3.8Å; F518-L562 WeakPolarHBondContact CD1-O 3.38Å; F518-L562 VanDerWaalsContact CE1-O 3.31Å; F518-L562 WeakPolarHBondContact CE1-O 2.94Å; F518-L562 HydrophobicContact CG-CB 4.23Å
519V94.2Very high89.7Confident0 Ų042.6 Ų42.60%021%0.214CC..EExtended strand (participates in β ladder)trans-136.1140.617658.80000110.3R453 A472 T474 V528 A529 I530R453-V519 HydrophobicContact CB-CG1 4.02Å; R453-V519 WeakPolarHBondContact CD-O 3.01Å; A472-V519 HydrophobicContact CB-CB 4.5Å; A472-V519 HydrophobicContact CB-CG1 3.83Å; A472-V519 HydrophobicContact CB-CG2 4Å; T474-V519 HydrophobicContact CG2-CB 3.74Å; T474-V519 HydrophobicContact CG2-CG1 3.84Å; V519-V528 HydrophobicContact CG2-CG1 3.64Å; V519-A529 WeakPolarHBondContact CA-O 3.3Å; V519-I530 HydrophobicContact CG2-CG1 4.04Å
520T92.4Very high89.8Confident0 Ų041.6 Ų41.60%021%0.209CC..EExtended strand (participates in β ladder)trans-145.4152.5175.7-172.60000111.1R453 V528 A529 L562 E563 F564 L571R453-T520 VanDerWaalsContact CZ-OG1 3.22Å; R453-T520 PolarHBondContact NH1-OG1 2.89Å; R453-T520 VanDerWaalsContact NH1-OG1 3.12Å; R453-T520 PolarHBondContact NH2-OG1 2.82Å; T520-V528 WeakPolarHBondContact O-CA 3.3Å; T520-A529 HydrophobicContact CG2-CB 3.96Å; T520-A529 PolarHBondContact N-O 2.89Å; T520-A529 PolarHBondContact O-N 3.36Å; T520-L562 WeakPolarHBondContact CB-O 3.15Å; T520-L562 HydrophobicContact CG2-CB 4.36Å; T520-L562 HydrophobicContact CG2-CD2 3.86Å; T520-L562 HydrophobicContact CG2-CG 3.65Å; T520-E563 PolarHBondContact OG1-OE2 2.76Å; T520-F564 HydrophobicContact CG2-CD2 3.54Å; T520-F564 HydrophobicContact CG2-CE2 3.72Å; T520-L571 HydrophobicContact CG2-CD1 4.01Å
521N89.2Confident89.8Confident30 Ų3037.4 Ų37.416%0.1618%0.183CC..EExtended strand (participates in β ladder)trans-108.4143.5179.570-60.1000110.3R453 V455 L525 F564R453-N521 PolarHBondContact NE-OD1 2.81Å; V455-N521 HydrophobicContact CG1-CB 4.15Å; N521-L525 VanDerWaalsContact ND2-CD2 3.26Å; N521-L525 WeakPolarHBondContact ND2-CD2 3.45Å; N521-F564 VanDerWaalsContact O-CD2 3.25Å; N521-F564 WeakPolarHBondContact O-CD2 3.31Å
522S87.7Confident89.8Confident0 Ų036.4 Ų36.40%018%0.179CC..  trans-67.5153.4171.475.40000110.4S524 L525 S526 M527S522-S524 PolarHBondContact O-N 2.94Å; S522-S524 PolarHBondContact OG-OG 3.37Å; S522-L525 WeakPolarHBondContact O-CA 3.24Å; S522-L525 PolarHBondContact O-N 2.79Å; S522-L525 PolarHBondContact OG-N 2.6Å; S522-S526 PolarHBondContact OG-N 3.14Å; S522-S526 VanDerWaalsContact OG-N 3.14Å; S522-M527 PolarHBondContact N-O 3Å; S522-M527 PolarHBondContact OG-N 2.64Å; S522-M527 VanDerWaalsContact OG-N 3.13Å; S522-M527 PolarHBondContact OG-O 3.08Å
523E78.4Confident89.7Confident97 Ų9728.3 Ų28.345%0.45315%0.151SC..THydrogen-bonded Turntrans-62.1-42.2179.6-167.9-179.3171.300112.2L525 L566 E568E523-L525 PolarHBondContact O-N 2.6Å; E523-L566 WeakPolarHBondContact OE2-CD1 3.42Å; E523-E568 HydrophobicContact CB-CG 4.43Å
524S77.3Confident89.7Confident45 Ų4520.2 Ų20.232%0.31512%0.116SC..THydrogen-bonded Turntrans-63.6-4.5170.649.10000115S522 S526 E568S522-S524 PolarHBondContact O-N 2.94Å; S522-S524 PolarHBondContact OG-OG 3.37Å; S524-S526 PolarHBondContact O-N 3.41Å; S524-S526 VanDerWaalsContact O-N 3.08Å; S524-S526 PolarHBondContact OG-OG 2.83Å; S524-E568 VanDerWaalsContact CB-CD 3.5Å; S524-E568 WeakPolarHBondContact CB-OE1 3.27Å; S524-E568 WeakPolarHBondContact CB-OE2 3.42Å; S524-E568 PolarHBondContact N-OE1 2.97Å; S524-E568 PolarHBondContact OG-OE2 3.48Å
525L79.3Confident89.7Confident57 Ų5718 Ų1830%0.29811%0.105SC..SBendtrans5916-175.6-50.9178.7000114.1N456 N521 S522 E523 S541N456-L525 HydrophobicContact CB-CD1 3.76Å; N456-L525 HydrophobicContact CB-CD2 3.87Å; N456-L525 HydrophobicContact CB-CG 4.43Å; N521-L525 VanDerWaalsContact ND2-CD2 3.26Å; N521-L525 WeakPolarHBondContact ND2-CD2 3.45Å; S522-L525 WeakPolarHBondContact O-CA 3.24Å; S522-L525 PolarHBondContact O-N 2.79Å; S522-L525 PolarHBondContact OG-N 2.6Å; E523-L525 PolarHBondContact O-N 2.6Å; L525-S541 WeakPolarHBondContact O-CB 3.05Å; L525-S541 PolarHBondContact O-OG 3.14Å
526S83.4Confident89.7Confident10 Ų1015.4 Ų15.47%0.079%0.088CC..SBendtrans-85.7-24.4-176.263.90000113.4S522 S524 S541S522-S526 PolarHBondContact OG-N 3.14Å; S522-S526 VanDerWaalsContact OG-N 3.14Å; S524-S526 PolarHBondContact O-N 3.41Å; S524-S526 VanDerWaalsContact O-N 3.08Å; S524-S526 PolarHBondContact OG-OG 2.83Å; S526-S541 PolarHBondContact O-N 2.74Å; S526-S541 PolarHBondContact O-OG 3.43Å
527M87.9Confident89.7Confident0 Ų015.4 Ų15.40%09%0.088CC..EExtended strand (participates in β ladder)trans-135.9154.3178.4-64.6-146.4-44.800114S522 L538 W539 S541 V584 I722 I723 L726S522-M527 PolarHBondContact N-O 3Å; S522-M527 PolarHBondContact OG-N 2.64Å; S522-M527 VanDerWaalsContact OG-N 3.13Å; S522-M527 PolarHBondContact OG-O 3.08Å; M527-L538 HydrophobicContact CE-CB 4.17Å; M527-L538 HydrophobicContact CE-CD1 4.15Å; M527-L538 HydrophobicContact CE-CD2 4.07Å; M527-L538 HydrophobicContact CE-CG 4.36Å; M527-W539 CarbonylContact C-O 3.55Å; M527-W539 VanDerWaalsContact CA-O 3.29Å; M527-W539 WeakPolarHBondContact CA-O 3.31Å; M527-S541 VanDerWaalsContact C-OG 3.29Å; M527-S541 WeakPolarHBondContact CA-OG 3.27Å; M527-S541 PolarHBondContact N-OG 3.34Å; M527-S541 VanDerWaalsContact N-OG 3.15Å; M527-V584 HydrophobicContact CE-CG1 3.35Å; M527-I722 HydrophobicContact CE-CB 4.23Å; M527-I722 HydrophobicContact CE-CD1 4.32Å; M527-I722 HydrophobicContact CE-CG2 3.41Å; M527-I722 VanDerWaalsContact CE-CG2 3.41Å; M527-I722 HydrophobicContact CG-CB 4.22Å; M527-I722 HydrophobicContact CG-CG2 4.33Å; M527-I722 HydrophobicContact SD-CB 4.34Å; M527-I722 HydrophobicContact SD-CG2 3.84Å; M527-I723 HydrophobicContact CG-CG1 4.15Å; M527-I723 HydrophobicContact SD-CG1 4.46Å; M527-L726 HydrophobicContact CE-CD1 4.2Å; M527-L726 HydrophobicContact SD-CD1 3.7Å
528V92.2Very high89.8Confident0 Ų014.7 Ų14.70%08%0.083CC..EExtended strand (participates in β ladder)trans-117.2127.8170.3-176.80000108.2V455 L458 F482 V519 T520 I530 W539 L544V455-V528 HydrophobicContact CG1-CG2 3.71Å; L458-V528 HydrophobicContact CD2-CG2 4.16Å; F482-V528 HydrophobicContact CZ-CG1 4.4Å; V519-V528 HydrophobicContact CG2-CG1 3.64Å; T520-V528 WeakPolarHBondContact O-CA 3.3Å; V528-I530 HydrophobicContact CG1-CD1 4.5Å; V528-I530 HydrophobicContact CG1-CG1 4.06Å; V528-W539 HydrophobicContact CB-CB 4.47Å; V528-W539 PolarHBondContact N-O 3.34Å; V528-W539 PolarHBondContact O-N 3.03Å; V528-L544 HydrophobicContact CG2-CD2 4.4Å
529A93.9Very high89.7Confident0 Ų014 Ų140%08%0.08CC..EExtended strand (participates in β ladder)trans-103.9133.5172.300000109.7V519 T520 I536 T537 L538 L562 F564 L571V519-A529 WeakPolarHBondContact CA-O 3.3Å; T520-A529 HydrophobicContact CG2-CB 3.96Å; T520-A529 PolarHBondContact N-O 2.89Å; T520-A529 PolarHBondContact O-N 3.36Å; A529-I536 HydrophobicContact CB-CG2 4.34Å; A529-T537 WeakPolarHBondContact CA-O 3.35Å; A529-L538 HydrophobicContact CB-CD2 3.78Å; A529-L562 HydrophobicContact CB-CD2 3.91Å; A529-F564 HydrophobicContact CB-CE2 3.64Å; A529-F564 HydrophobicContact CB-CZ 3.76Å; A529-L571 HydrophobicContact CB-CD1 4.04Å; A529-L571 HydrophobicContact CB-CD2 3.96Å
530I95.6Very high89.5Confident0 Ų014.1 Ų14.10%08%0.08CC..EExtended strand (participates in β ladder)trans-128.6127.1-178.8-54.4175000108.9T474 V480 F482 L509 F518 V519 V528 F532 I536 T537 W539T474-I530 HydrophobicContact CG2-CG2 4.44Å; V480-I530 HydrophobicContact CB-CD1 4.47Å; V480-I530 HydrophobicContact CG1-CD1 4.09Å; V480-I530 HydrophobicContact CG2-CD1 4.48Å; V480-I530 HydrophobicContact CG2-CG2 3.85Å; F482-I530 HydrophobicContact CZ-CD1 4.41Å; L509-I530 HydrophobicContact CD1-CD1 4.21Å; F518-I530 WeakPolarHBondContact O-CA 3.38Å; V519-I530 HydrophobicContact CG2-CG1 4.04Å; V528-I530 HydrophobicContact CG1-CD1 4.5Å; V528-I530 HydrophobicContact CG1-CG1 4.06Å; I530-F532 HydrophobicContact CB-CD2 4.32Å; I530-F532 HydrophobicContact CB-CE2 3.84Å; I530-F532 HydrophobicContact CG2-CD2 3.81Å; I530-F532 HydrophobicContact CG2-CE1 4.47Å; I530-F532 HydrophobicContact CG2-CE2 3.31Å; I530-F532 HydrophobicContact CG2-CZ 3.71Å; I530-I536 CarbonylContact O-C 3.57Å; I530-I536 WeakPolarHBondContact O-CA 3.47Å; I530-T537 PolarHBondContact N-O 3.02Å; I530-T537 PolarHBondContact O-N 2.77Å; I530-T537 PolarHBondContact O-OG1 3.33Å; I530-W539 HydrophobicContact CD1-CG 4.38Å
531A94.9Very high89.1Confident0 Ų014.1 Ų14.10%08%0.08CC..EExtended strand (participates in β ladder)trans-88126.2173.100000111.2A516 S517 F518 V559 L562A516-A531 WeakPolarHBondContact CA-O 3.37Å; S517-A531 PolarHBondContact N-O 2.86Å; S517-A531 WeakPolarHBondContact OG-CB 3.36Å; F518-A531 HydrophobicContact CB-CB 4.31Å; F518-A531 PolarHBondContact O-N 2.51Å; A531-V559 HydrophobicContact CB-CB 3.9Å; A531-V559 HydrophobicContact CB-CG1 4Å; A531-L562 HydrophobicContact CB-CD2 4.18Å
532F94.1Very high88.6Confident0 Ų016.6 Ų16.60%09%0.093CC..EExtended strand (participates in β ladder)trans-121.797.2174.9-73.5-80.2000108.8V480 F511 L514 P515 A516 I530 G534 T535 T537V480-F532 HydrophobicContact CG2-CE1 4.02Å; V480-F532 HydrophobicContact CG2-CZ 3.76Å; F511-F532 HydrophobicContact CB-CD1 4Å; F511-F532 HydrophobicContact CB-CD2 3.6Å; F511-F532 HydrophobicContact CB-CE1 3.9Å; F511-F532 HydrophobicContact CB-CE2 3.48Å; F511-F532 VanDerWaalsContact CB-CE2 3.48Å; F511-F532 HydrophobicContact CB-CG 3.85Å; F511-F532 HydrophobicContact CB-CZ 3.64Å; F511-F532 HydrophobicContact CD1-CB 4.24Å; F511-F532 HydrophobicContact CD1-CD2 4.17Å; F511-F532 HydrophobicContact CD1-CG 4.26Å; F511-F532 HydrophobicContact CG-CD2 4.16Å; F511-F532 HydrophobicContact CG-CE2 4.37Å; F511-F532 HydrophobicContact CG-CG 4.49Å; L514-F532 HydrophobicContact CB-CB 3.87Å; L514-F532 HydrophobicContact CB-CD1 4.48Å; L514-F532 HydrophobicContact CD1-CB 4.32Å; L514-F532 WeakPolarHBondContact O-CD1 3.3Å; P515-F532 CarbonylContact O-C 3.56Å; P515-F532 VanDerWaalsContact O-CA 3.27Å; P515-F532 WeakPolarHBondContact O-CA 3.34Å; A516-F532 HydrophobicContact CB-CD1 3.82Å; A516-F532 HydrophobicContact CB-CE1 3.63Å; A516-F532 HydrophobicContact CB-CZ 4.43Å; I530-F532 HydrophobicContact CB-CD2 4.32Å; I530-F532 HydrophobicContact CB-CE2 3.84Å; I530-F532 HydrophobicContact CG2-CD2 3.81Å; I530-F532 HydrophobicContact CG2-CE1 4.47Å; I530-F532 HydrophobicContact CG2-CE2 3.31Å; I530-F532 HydrophobicContact CG2-CZ 3.71Å; F532-G534 PolarHBondContact O-N 2.7Å; F532-T535 CarbonylContact C-O 3.53Å; F532-T535 PolarHBondContact N-O 2.79Å; F532-T535 PolarHBondContact O-N 2.9Å; F532-T537 HydrophobicContact CD2-CG2 3.85Å; F532-T537 WeakPolarHBondContact CD2-OG1 3.31Å; F532-T537 HydrophobicContact CE2-CG2 4.29Å; F532-T537 VanDerWaalsContact CE2-OG1 3.3Å; F532-T537 WeakPolarHBondContact CE2-OG1 3.21Å
533G90.1Very high88.3Confident9 Ų920.6 Ų20.69%0.09312%0.115CC..THydrogen-bonded Turntrans56.7-119.6-170.700000111.9P515 A558 V559P515-G533 PolarHBondContact O-N 2.86Å; G533-A558 WeakPolarHBondContact O-CA 3.42Å; G533-V559 PolarHBondContact O-N 2.87Å
534G88.9Confident88.7Confident12 Ų1216.6 Ų16.612%0.12410%0.097CC..THydrogen-bonded Turntrans-89.31.217600000114.9F532 V552 C553F532-G534 PolarHBondContact O-N 2.7Å; G534-V552 PolarHBondContact O-N 2.91Å; G534-C553 PolarHBondContact O-N 3.35Å
535T91.7Very high89.3Confident13 Ų1317.8 Ų17.88%0.0810%0.102CC..EExtended strand (participates in β ladder)trans-108.3137-177.9-56.80000110.3F511 F532 M550 N551F511-T535 HydrophobicContact CE1-CG2 3.99Å; F532-T535 CarbonylContact C-O 3.53Å; F532-T535 PolarHBondContact N-O 2.79Å; F532-T535 PolarHBondContact O-N 2.9Å; T535-M550 CarbonylContact C-O 3.48Å; T535-M550 WeakPolarHBondContact CA-O 3.42Å; T535-M550 WeakPolarHBondContact CG2-O 3.48Å; T535-N551 WeakPolarHBondContact CG2-OD1 3.36Å; T535-N551 PolarHBondContact OG1-OD1 3.34Å
536I93.4Very high89.9Confident0 Ų018.9 Ų18.90%010%0.104CC..EExtended strand (participates in β ladder)trans-107.1136.2172.2-56.7172.9000108.9A529 I530 S549 M550 V552 V559 L562 L571 A573A529-I536 HydrophobicContact CB-CG2 4.34Å; I530-I536 CarbonylContact O-C 3.57Å; I530-I536 WeakPolarHBondContact O-CA 3.47Å; I536-S549 CarbonylContact O-C 3.48Å; I536-S549 VanDerWaalsContact O-CA 3.23Å; I536-S549 WeakPolarHBondContact O-CA 3.36Å; I536-M550 HydrophobicContact CB-CG 3.91Å; I536-M550 PolarHBondContact N-O 2.83Å; I536-M550 PolarHBondContact O-N 2.86Å; I536-V552 HydrophobicContact CB-CG2 4.24Å; I536-V552 HydrophobicContact CD1-CB 3.93Å; I536-V552 HydrophobicContact CD1-CG1 4.12Å; I536-V552 HydrophobicContact CD1-CG2 3.27Å; I536-V552 HydrophobicContact CG1-CB 4.27Å; I536-V552 HydrophobicContact CG1-CG2 3.68Å; I536-V559 HydrophobicContact CG1-CG2 4.41Å; I536-L562 HydrophobicContact CD1-CD1 3.62Å; I536-L562 HydrophobicContact CG1-CD1 4.37Å; I536-L562 HydrophobicContact CG2-CD2 4.14Å; I536-L571 HydrophobicContact CD1-CD2 4.03Å; I536-L571 HydrophobicContact CG2-CD2 3.67Å; I536-A573 HydrophobicContact CD1-CB 3.8Å
537T94.2Very high90.2Very high0 Ų022.8 Ų22.80%012%0.117CC..EExtended strand (participates in β ladder)trans-116.4141.9178.158.10000110.2F511 A529 I530 F532 W539 F546 R548F511-T537 HydrophobicContact CB-CG2 4.38Å; F511-T537 HydrophobicContact CD1-CG2 3.63Å; F511-T537 HydrophobicContact CD2-CG2 3.78Å; F511-T537 HydrophobicContact CE1-CG2 3.7Å; F511-T537 HydrophobicContact CE2-CG2 3.84Å; F511-T537 HydrophobicContact CG-CG2 3.67Å; F511-T537 HydrophobicContact CZ-CG2 3.79Å; A529-T537 WeakPolarHBondContact CA-O 3.35Å; I530-T537 PolarHBondContact N-O 3.02Å; I530-T537 PolarHBondContact O-N 2.77Å; I530-T537 PolarHBondContact O-OG1 3.33Å; F532-T537 HydrophobicContact CD2-CG2 3.85Å; F532-T537 WeakPolarHBondContact CD2-OG1 3.31Å; F532-T537 HydrophobicContact CE2-CG2 4.29Å; F532-T537 VanDerWaalsContact CE2-OG1 3.3Å; F532-T537 WeakPolarHBondContact CE2-OG1 3.21Å; T537-W539 PolarHBondContact OG1-NE1 2.92Å; T537-F546 HydrophobicContact CG2-CE2 4.06Å; T537-R548 WeakPolarHBondContact CA-O 3.33Å
538L93.4Very high90.3Very high0 Ų026.9 Ų26.90%013%0.133CC..EExtended strand (participates in β ladder)trans-114.7126.6-177.8-59.5173.1000109M527 A529 R547 R548 L571 V584 L587M527-L538 HydrophobicContact CE-CB 4.17Å; M527-L538 HydrophobicContact CE-CD1 4.15Å; M527-L538 HydrophobicContact CE-CD2 4.07Å; M527-L538 HydrophobicContact CE-CG 4.36Å; A529-L538 HydrophobicContact CB-CD2 3.78Å; L538-R547 WeakPolarHBondContact O-CB 3.43Å; L538-R547 PolarHBondContact O-N 3.41Å; L538-R548 HydrophobicContact CD1-CB 4.3Å; L538-R548 PolarHBondContact N-O 2.82Å; L538-R548 PolarHBondContact O-N 2.91Å; L538-L571 HydrophobicContact CD2-CD2 4.37Å; L538-V584 HydrophobicContact CD1-CG1 3.78Å; L538-L587 HydrophobicContact CD1-CD2 4.16Å
539W92.5Very high90.2Very high22 Ų2229 Ų298%0.08315%0.148CC..EExtended strand (participates in β ladder)trans-123.9142.3-175.8-55.879.1000108.9L509 M527 V528 I530 T537 V545 F546L509-W539 HydrophobicContact CB-CH2 4.45Å; L509-W539 HydrophobicContact CD1-CD2 3.95Å; L509-W539 HydrophobicContact CD1-CE3 3.81Å; L509-W539 HydrophobicContact CD1-CH2 4.23Å; L509-W539 HydrophobicContact CD1-CZ2 4.38Å; L509-W539 HydrophobicContact CD1-CZ3 3.94Å; L509-W539 HydrophobicContact CD2-CH2 4.47Å; L509-W539 HydrophobicContact CD2-CZ3 4.1Å; M527-W539 CarbonylContact C-O 3.55Å; M527-W539 VanDerWaalsContact CA-O 3.29Å; M527-W539 WeakPolarHBondContact CA-O 3.31Å; V528-W539 HydrophobicContact CB-CB 4.47Å; V528-W539 PolarHBondContact N-O 3.34Å; V528-W539 PolarHBondContact O-N 3.03Å; I530-W539 HydrophobicContact CD1-CG 4.38Å; T537-W539 PolarHBondContact OG1-NE1 2.92Å; W539-V545 WeakPolarHBondContact CA-O 3.48Å; W539-F546 HydrophobicContact CD2-CB 4.33Å; W539-F546 HydrophobicContact CD2-CD2 4.47Å; W539-F546 VanDerWaalsContact CE3-CA 3.49Å; W539-F546 HydrophobicContact CE3-CB 3.78Å; W539-F546 VanDerWaalsContact CE3-N 3.29Å; W539-F546 HydrophobicContact CH2-CB 3.97Å; W539-F546 HydrophobicContact CH2-CD2 4.29Å; W539-F546 HydrophobicContact CZ2-CB 4.45Å; W539-F546 HydrophobicContact CZ2-CD2 4.01Å; W539-F546 HydrophobicContact CZ3-CB 3.61Å
540S88.7Confident90Very high1 Ų129.5 Ų29.51%0.00715%0.15CC..EExtended strand (participates in β ladder)trans-72.4133.5172.1178.40000109.6N542 D543 L544 V545 I723S540-N542 VanDerWaalsContact C-N 3.26Å; S540-N542 PolarHBondContact O-N 3.04Å; S540-D543 VanDerWaalsContact CB-OD1 3.31Å; S540-D543 WeakPolarHBondContact CB-OD1 3.35Å; S540-L544 WeakPolarHBondContact O-CA 3.44Å; S540-L544 PolarHBondContact O-N 2.75Å; S540-V545 PolarHBondContact N-O 2.73Å; S540-I723 WeakPolarHBondContact OG-CD1 3.23Å
541S83.8Confident89.4Confident0 Ų034.6 Ų34.60%018%0.177CC..THydrogen-bonded Turntrans-66.2-30.7177.6-64.30000112.6L458 L525 S526 M527L458-S541 VanDerWaalsContact CA-O 3.3Å; L458-S541 WeakPolarHBondContact CA-O 3.24Å; L458-S541 WeakPolarHBondContact CD2-O 3.4Å; L525-S541 WeakPolarHBondContact O-CB 3.05Å; L525-S541 PolarHBondContact O-OG 3.14Å; S526-S541 PolarHBondContact O-N 2.74Å; S526-S541 PolarHBondContact O-OG 3.43Å; M527-S541 VanDerWaalsContact C-OG 3.29Å; M527-S541 WeakPolarHBondContact CA-OG 3.27Å; M527-S541 PolarHBondContact N-OG 3.34Å; M527-S541 VanDerWaalsContact N-OG 3.15Å
542N79.6Confident88.5Confident82 Ų8235.1 Ų35.144%0.43918%0.181SC..THydrogen-bonded Turntrans-60.2-57.6-176.1-65.2-5.5000110.3T459 S540T459-N542 CarbonylContact C-O 3.6Å; T459-N542 VanDerWaalsContact C-O 3.22Å; T459-N542 WeakPolarHBondContact CA-O 3.06Å; T459-N542 WeakPolarHBondContact CB-O 3.43Å; T459-N542 PolarHBondContact N-O 3.2Å; T459-N542 WeakPolarHBondContact OG1-CA 3.19Å; T459-N542 PolarHBondContact OG1-O 3.4Å; S540-N542 VanDerWaalsContact C-N 3.26Å; S540-N542 PolarHBondContact O-N 3.04Å
543D81.4Confident87.3Confident84 Ų8436.2 Ų36.245%0.44919%0.188SC..THydrogen-bonded Turntrans-115.40.9-170.553.89.4000113.5S540 V545S540-D543 VanDerWaalsContact CB-OD1 3.31Å; S540-D543 WeakPolarHBondContact CB-OD1 3.35Å; D543-V545 HydrophobicContact CB-CG2 3.85Å; D543-V545 PolarHBondContact O-N 3.12Å; D543-V545 VanDerWaalsContact OD1-CB 3.27Å; D543-V545 WeakPolarHBondContact OD1-CB 3.16Å; D543-V545 WeakPolarHBondContact OD1-CG2 3.4Å; D543-V545 PolarHBondContact OD1-N 2.88Å; D543-V545 VanDerWaalsContact OD2-CG2 3.31Å; D543-V545 WeakPolarHBondContact OD2-CG2 3.26Å
544L87.2Confident86.1Confident14 Ų1442.4 Ų42.47%0.07322%0.219CC..  trans51.436.4-169.8-65.7172000112L458 F460 F482 T507 L509 V528 S540L458-L544 HydrophobicContact CD1-CD1 4.4Å; L458-L544 HydrophobicContact CD2-CD2 3.79Å; L458-L544 HydrophobicContact CD2-CG 4.25Å; F460-L544 HydrophobicContact CD1-CD1 4.45Å; F460-L544 HydrophobicContact CE1-CD1 3.62Å; F460-L544 HydrophobicContact CZ-CD1 4.23Å; F482-L544 HydrophobicContact CD1-CD1 4.31Å; F482-L544 HydrophobicContact CD2-CD1 4.05Å; F482-L544 HydrophobicContact CE1-CD1 4.44Å; F482-L544 HydrophobicContact CE1-CD2 4.06Å; F482-L544 HydrophobicContact CE2-CD1 4.21Å; F482-L544 HydrophobicContact CE2-CD2 4.35Å; F482-L544 HydrophobicContact CG-CD1 4.1Å; F482-L544 HydrophobicContact CZ-CD1 4.4Å; F482-L544 HydrophobicContact CZ-CD2 3.88Å; T507-L544 HydrophobicContact CG2-CD1 3.61Å; L509-L544 HydrophobicContact CD1-CB 4.47Å; V528-L544 HydrophobicContact CG2-CD2 4.4Å; S540-L544 WeakPolarHBondContact O-CA 3.44Å; S540-L544 PolarHBondContact O-N 2.75Å
545V89.1Confident84.7Confident69 Ų6948 Ų4842%0.41826%0.256SS..  trans-84.9131.5173.7173.20000110.1W539 S540 D543 R547W539-V545 WeakPolarHBondContact CA-O 3.48Å; S540-V545 PolarHBondContact N-O 2.73Å; D543-V545 HydrophobicContact CB-CG2 3.85Å; D543-V545 PolarHBondContact O-N 3.12Å; D543-V545 VanDerWaalsContact OD1-CB 3.27Å; D543-V545 WeakPolarHBondContact OD1-CB 3.16Å; D543-V545 WeakPolarHBondContact OD1-CG2 3.4Å; D543-V545 PolarHBondContact OD1-N 2.88Å; D543-V545 VanDerWaalsContact OD2-CG2 3.31Å; D543-V545 WeakPolarHBondContact OD2-CG2 3.26Å; V545-R547 PolarHBondContact O-N 2.89Å
546F91.8Very high83.6Confident81 Ų8152.5 Ų52.536%0.35529%0.289SS..EExtended strand (participates in β ladder)trans-59.2128175.1175-98.6000110.7F511 T537 W539 R548F511-F546 HydrophobicContact CD2-CE2 4.28Å; F511-F546 HydrophobicContact CE2-CD2 4.44Å; F511-F546 AromaticContact CE2-CE2 3.74Å; F511-F546 HydrophobicContact CE2-CE2 3.74Å; F511-F546 HydrophobicContact CE2-CZ 4.06Å; F511-F546 HydrophobicContact CZ-CE2 4.49Å; T537-F546 HydrophobicContact CG2-CE2 4.06Å; W539-F546 HydrophobicContact CD2-CB 4.33Å; W539-F546 HydrophobicContact CD2-CD2 4.47Å; W539-F546 VanDerWaalsContact CE3-CA 3.49Å; W539-F546 HydrophobicContact CE3-CB 3.78Å; W539-F546 VanDerWaalsContact CE3-N 3.29Å; W539-F546 HydrophobicContact CH2-CB 3.97Å; W539-F546 HydrophobicContact CH2-CD2 4.29Å; W539-F546 HydrophobicContact CZ2-CB 4.45Å; W539-F546 HydrophobicContact CZ2-CD2 4.01Å; W539-F546 HydrophobicContact CZ3-CB 3.61Å; F546-R548 VanDerWaalsContact CE2-O 3.22Å; F546-R548 WeakPolarHBondContact CE2-O 3.37Å; F546-R548 VanDerWaalsContact CZ-C 3.41Å
547R90.2Very high83Confident91 Ų9153.9 Ų53.934%0.34330%0.297SS..EExtended strand (participates in β ladder)trans-104.5-55.3177-63.6-66.2179.3164.2-3.3111.4L538 V545L538-R547 WeakPolarHBondContact O-CB 3.43Å; L538-R547 PolarHBondContact O-N 3.41Å; V545-R547 PolarHBondContact O-N 2.89Å
548R89.7Confident82.7Confident86 Ų8656 Ų5633%0.32532%0.315SS..EExtended strand (participates in β ladder)trans-153.7162.1-170.2-69-64.9-179.8-101.36111.7T537 L538 F546 L587 D730T537-R548 WeakPolarHBondContact CA-O 3.33Å; L538-R548 HydrophobicContact CD1-CB 4.3Å; L538-R548 PolarHBondContact N-O 2.82Å; L538-R548 PolarHBondContact O-N 2.91Å; F546-R548 VanDerWaalsContact CE2-O 3.22Å; F546-R548 WeakPolarHBondContact CE2-O 3.37Å; F546-R548 VanDerWaalsContact CZ-C 3.41Å; R548-L587 HydrophobicContact CB-CD1 4.43Å; R548-L587 HydrophobicContact CB-CD2 4.12Å; R548-L587 HydrophobicContact CG-CD1 3.91Å; R548-L587 HydrophobicContact CG-CD2 4.25Å; R548-D730 IonicContact CZ-OD1 2.7Å; R548-D730 IonicContact CZ-OD2 3.51Å; R548-D730 IonicContact NH2-OD1 2.86Å; R548-D730 PolarHBondContact NH2-OD1 3.29Å; R548-D730 IonicContact NH2-OD2 2.76Å; R548-D730 PolarHBondContact NH2-OD2 3.38Å
549S90.5Very high82.5Confident46 Ų4656 Ų5632%0.32232%0.315SS..EExtended strand (participates in β ladder)trans-134.7146.4170.361.10000110.6I536I536-S549 CarbonylContact O-C 3.48Å; I536-S549 VanDerWaalsContact O-CA 3.23Å; I536-S549 WeakPolarHBondContact O-CA 3.36Å
550M88.6Confident82.3Confident10 Ų1058.8 Ų58.85%0.04933%0.325CS..EExtended strand (participates in β ladder)trans-135138.8177.352175.449.400110.5T535 I536 V552 W582 L587T535-M550 CarbonylContact C-O 3.48Å; T535-M550 WeakPolarHBondContact CA-O 3.42Å; T535-M550 WeakPolarHBondContact CG2-O 3.48Å; I536-M550 HydrophobicContact CB-CG 3.91Å; I536-M550 PolarHBondContact N-O 2.83Å; I536-M550 PolarHBondContact O-N 2.86Å; M550-V552 HydrophobicContact CG-CG2 4Å; M550-V552 HydrophobicContact SD-CG2 4.17Å; M550-W582 HydrophobicContact CE-CB 4.35Å; M550-W582 HydrophobicContact CE-CE3 4.23Å; M550-W582 HydrophobicContact SD-CB 3.84Å; M550-W582 HydrophobicContact SD-CD2 4.09Å; M550-W582 HydrophobicContact SD-CE3 4.08Å; M550-W582 HydrophobicContact SD-CG 3.98Å; M550-L587 HydrophobicContact CE-CB 4.41Å; M550-L587 HydrophobicContact CE-CD2 3.72Å
551N83.7Confident82.5Confident106 Ų10659.7 Ų59.757%0.56733%0.329SS*.EExtended strand (participates in β ladder)trans-90.9119.3174.3-68.8-27.8000108.7T535 W582T535-N551 WeakPolarHBondContact CG2-OD1 3.36Å; T535-N551 PolarHBondContact OG1-OD1 3.34Å; N551-W582 VanDerWaalsContact O-CH2 3.31Å; N551-W582 WeakPolarHBondContact O-CH2 3.37Å; N551-W582 WeakPolarHBondContact O-CZ2 2.94Å
552V76.8Confident82.9Confident11 Ų1159.7 Ų59.77%0.06733%0.329CS..  trans-105.1-35.8-167.3167.50000112.7G534 I536 M550 A573 W582G534-V552 PolarHBondContact O-N 2.91Å; I536-V552 HydrophobicContact CB-CG2 4.24Å; I536-V552 HydrophobicContact CD1-CB 3.93Å; I536-V552 HydrophobicContact CD1-CG1 4.12Å; I536-V552 HydrophobicContact CD1-CG2 3.27Å; I536-V552 HydrophobicContact CG1-CB 4.27Å; I536-V552 HydrophobicContact CG1-CG2 3.68Å; M550-V552 HydrophobicContact CG-CG2 4Å; M550-V552 HydrophobicContact SD-CG2 4.17Å; V552-A573 HydrophobicContact CG1-CB 3.46Å; V552-A573 VanDerWaalsContact CG1-CB 3.46Å; V552-W582 HydrophobicContact CB-CZ2 4.28Å; V552-W582 HydrophobicContact CG2-CD2 4.04Å; V552-W582 HydrophobicContact CG2-CG 4.18Å; V552-W582 HydrophobicContact CG2-CZ2 4.1Å
553C67.6Low83.5Confident23 Ų2357.2 Ų57.216%0.15532%0.315CS..SBendtrans-114.1158.8175.6-64.50000110G534 S555 V557G534-C553 PolarHBondContact O-N 3.35Å; C553-S555 PolarHBondContact O-N 3.23Å; C553-V557 HydrophobicContact CB-CB 4.28Å; C553-V557 VanDerWaalsContact CB-O 3.26Å; C553-V557 WeakPolarHBondContact CB-O 3.29Å
554D66.5Low83.9Confident140 Ų14054 Ų5475%0.74930%0.297SS*.  trans-52.9137.8162.1-68-30.6000107.5S556 V557D554-S556 PolarHBondContact O-N 2.98Å; D554-V557 PolarHBondContact O-N 2.84Å
555S58.5Low83.9Confident129 Ų12953.5 Ų53.590%0.90230%0.295SS*.THydrogen-bonded Turntrans-56.5-7.4-164.353.60000115.7C553C553-S555 PolarHBondContact O-N 3.23Å
556S68.5Low83.2Confident108 Ų10853 Ų5376%0.75529%0.29SS*.THydrogen-bonded Turntrans-88.2-16.2176.359.20000115D554D554-S556 PolarHBondContact O-N 2.98Å
557V81.4Confident82.2Confident29 Ų2953.4 Ų53.418%0.17629%0.292CS..SBendtrans-114.2120.5-173-167.30000110.9C553 D554 T576C553-V557 HydrophobicContact CB-CB 4.28Å; C553-V557 VanDerWaalsContact CB-O 3.26Å; C553-V557 WeakPolarHBondContact CB-O 3.29Å; D554-V557 PolarHBondContact O-N 2.84Å; V557-T576 HydrophobicContact CG1-CG2 3.89Å
558A86.5Confident81Confident45 Ų4551 Ų5137%0.37229%0.285SS..  trans-74.9148.4176.900000112.1G533 R560G533-A558 WeakPolarHBondContact O-CA 3.42Å; A558-R560 PolarHBondContact O-N 3.02Å
559V90.7Very high80.6Confident0 Ų048 Ų480%028%0.276CS..  trans-73.8119.5169.9178.70000108.4S517 A531 G533 I536 Q561 L562 A573 M574S517-V559 VanDerWaalsContact CB-O 3.24Å; S517-V559 WeakPolarHBondContact CB-O 2.96Å; S517-V559 PolarHBondContact OG-O 3.32Å; A531-V559 HydrophobicContact CB-CB 3.9Å; A531-V559 HydrophobicContact CB-CG1 4Å; G533-V559 PolarHBondContact O-N 2.87Å; I536-V559 HydrophobicContact CG1-CG2 4.41Å; V559-Q561 WeakPolarHBondContact CG1-O 3.31Å; V559-L562 HydrophobicContact CG1-CB 4.38Å; V559-A573 HydrophobicContact CG1-CB 4.21Å; V559-M574 CarbonylContact C-O 3.22Å
560R88.4Confident80.5Confident79 Ų7946.2 Ų46.230%0.29826%0.263SS..  trans-86.4-33-179.8-73-170.9172.7171.87.2113.2D326 A558 M574 T576D326-R560 IonicContact OD1-CZ 2.73Å; D326-R560 IonicContact OD1-NE 2.76Å; D326-R560 IonicContact OD1-NH2 3.32Å; D326-R560 PolarHBondContact OD1-NH2 2.88Å; D326-R560 WeakPolarHBondContact OD2-CD 3.34Å; D326-R560 IonicContact OD2-CZ 3.71Å; D326-R560 VanDerWaalsContact OD2-CZ 3.3Å; D326-R560 IonicContact OD2-NE 2.69Å; D326-R560 PolarHBondContact OD2-NE 3.46Å; D326-R560 IonicContact OD2-NH2 4Å; D326-R560 PolarHBondContact OD2-NH2 2.7Å; A558-R560 PolarHBondContact O-N 3.02Å; R560-M574 HydrophobicContact CB-CE 4.26Å; R560-M574 PolarHBondContact N-O 2.76Å; R560-T576 VanDerWaalsContact NE-CG2 3.32Å
561Q91.6Very high80.7Confident21 Ų2145.8 Ų45.810%0.09826%0.26CS..EExtended strand (participates in β ladder)trans-147.2142.5-179.7-164.9175.5-4.300109.7F518 V559 M574 N599 I600F518-Q561 HydrophobicContact CE1-CG 4.32Å; F518-Q561 HydrophobicContact CE2-CG 4.23Å; F518-Q561 HydrophobicContact CZ-CG 3.96Å; V559-Q561 WeakPolarHBondContact CG1-O 3.31Å; Q561-M574 HydrophobicContact CB-CB 4.11Å; Q561-M574 HydrophobicContact CB-CE 3.79Å; Q561-M574 PolarHBondContact N-O 2.69Å; Q561-M574 PolarHBondContact O-N 2.89Å; Q561-N599 PolarHBondContact NE2-OD1 2.61Å; Q561-N599 PolarHBondContact OE1-OD1 3.04Å; Q561-I600 HydrophobicContact CB-CG1 4.46Å; Q561-I600 HydrophobicContact CG-CG1 4.09Å; Q561-I600 PolarHBondContact NE2-O 3.4Å; Q561-I600 VanDerWaalsContact OE1-CG1 3.29Å; Q561-I600 VanDerWaalsContact OE1-N 3.1Å
562L93.3Very high81.1Confident0 Ų040.7 Ų40.70%023%0.233CC..EExtended strand (participates in β ladder)trans-137.1122.3-176.6-175.567000109.6F518 T520 A529 A531 I536 V559 L571 L572 A573F518-L562 HydrophobicContact CB-CB 4.01Å; F518-L562 HydrophobicContact CD1-CB 3.8Å; F518-L562 WeakPolarHBondContact CD1-O 3.38Å; F518-L562 VanDerWaalsContact CE1-O 3.31Å; F518-L562 WeakPolarHBondContact CE1-O 2.94Å; F518-L562 HydrophobicContact CG-CB 4.23Å; T520-L562 WeakPolarHBondContact CB-O 3.15Å; T520-L562 HydrophobicContact CG2-CB 4.36Å; T520-L562 HydrophobicContact CG2-CD2 3.86Å; T520-L562 HydrophobicContact CG2-CG 3.65Å; A529-L562 HydrophobicContact CB-CD2 3.91Å; A531-L562 HydrophobicContact CB-CD2 4.18Å; I536-L562 HydrophobicContact CD1-CD1 3.62Å; I536-L562 HydrophobicContact CG1-CD1 4.37Å; I536-L562 HydrophobicContact CG2-CD2 4.14Å; V559-L562 HydrophobicContact CG1-CB 4.38Å; L562-L571 HydrophobicContact CD1-CD1 3.79Å; L562-L571 HydrophobicContact CD1-CD2 3.81Å; L562-L571 HydrophobicContact CD1-CG 3.62Å; L562-L571 HydrophobicContact CG-CD1 4.07Å; L562-L571 HydrophobicContact CG-CG 4.42Å; L562-L572 WeakPolarHBondContact CA-O 3.42Å; L562-A573 HydrophobicContact CD1-CB 4.17Å
563E92.3Very high81.9Confident30 Ų3040.2 Ų40.214%0.1423%0.23CC..EExtended strand (participates in β ladder)trans-138.8140.3179.1-70.6-60.7161.100111.3R453 T520 L572 V602R453-E563 IonicContact CZ-OE1 3.43Å; R453-E563 IonicContact CZ-OE2 3.13Å; R453-E563 VanDerWaalsContact CZ-OE2 3.27Å; R453-E563 IonicContact NH1-OE1 3.7Å; R453-E563 PolarHBondContact NH1-OE1 2.9Å; R453-E563 IonicContact NH1-OE2 3.61Å; R453-E563 PolarHBondContact NH1-OE2 2.76Å; R453-E563 IonicContact NH2-OE1 2.65Å; R453-E563 IonicContact NH2-OE2 3.64Å; R453-E563 PolarHBondContact NH2-OE2 2.75Å; T520-E563 PolarHBondContact OG1-OE2 2.76Å; E563-L572 PolarHBondContact N-O 2.98Å; E563-L572 WeakPolarHBondContact O-CB 3.36Å; E563-L572 PolarHBondContact O-N 2.76Å; E563-V602 HydrophobicContact CB-CG2 3.92Å; E563-V602 HydrophobicContact CG-CG2 4.26Å
564F90.1Very high83.1Confident15 Ų1539.3 Ų39.37%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-73.9138.8164.5-79.6-86.8000109.5T520 N521 A529 L571 V584T520-F564 HydrophobicContact CG2-CD2 3.54Å; T520-F564 HydrophobicContact CG2-CE2 3.72Å; N521-F564 VanDerWaalsContact O-CD2 3.25Å; N521-F564 WeakPolarHBondContact O-CD2 3.31Å; A529-F564 HydrophobicContact CB-CE2 3.64Å; A529-F564 HydrophobicContact CB-CZ 3.76Å; F564-L571 HydrophobicContact CD1-CD1 3.9Å; F564-L571 HydrophobicContact CD2-CD1 3.87Å; F564-L571 HydrophobicContact CE1-CD1 3.96Å; F564-L571 HydrophobicContact CE2-CD1 3.93Å; F564-L571 HydrophobicContact CG-CD1 3.87Å; F564-L571 HydrophobicContact CZ-CD1 3.97Å; F564-V584 HydrophobicContact CE1-CG2 4.09Å
565A85.5Confident84.3Confident4 Ų432.7 Ų32.73%0.03319%0.189CC..  trans-73.7160.9163.200000109.5E567 L570 L572 V622A565-E567 CarbonylContact O-C 3.58Å; A565-E567 PolarHBondContact O-N 2.76Å; A565-L570 HydrophobicContact CB-CB 4.02Å; A565-L570 PolarHBondContact N-O 2.73Å; A565-L572 HydrophobicContact CB-CD1 4.48Å; A565-V622 HydrophobicContact CB-CG1 4.12Å; A565-V622 HydrophobicContact CB-CG2 4.33Å
566L75.7Confident85.6Confident60 Ų6028.7 Ų28.731%0.31416%0.159SC..SBendtrans-57.6-34173-164.683.6000111.6E523 E568 P604 I605E523-L566 WeakPolarHBondContact OE2-CD1 3.42Å; L566-E568 PolarHBondContact O-N 2.74Å; L566-P604 WeakPolarHBondContact CD1-O 3.43Å; L566-I605 VanDerWaalsContact CD2-O 3.3Å; L566-I605 WeakPolarHBondContact CD2-O 3.08Å
567E70.2Confident86.5Confident88 Ų8826.4 Ų26.441%0.41114%0.142SC..SBendtrans-69.197164.8-68.2-177.2-159.200108.9A565 D569 L570 N623A565-E567 CarbonylContact O-C 3.58Å; A565-E567 PolarHBondContact O-N 2.76Å; E567-D569 PolarHBondContact O-N 2.77Å; E567-L570 HydrophobicContact CB-CD1 4.21Å; E567-L570 PolarHBondContact O-N 2.79Å; E567-L570 WeakPolarHBondContact OE2-CD1 3.38Å; E567-N623 WeakPolarHBondContact OE2-CB 3.46Å; E567-N623 PolarHBondContact OE2-ND2 2.98Å
568E65.1Low86.9Confident40 Ų4025.5 Ų25.519%0.18714%0.138CC..THydrogen-bonded Turntrans-50.1-20-169.9-62.8-166.5-178.900116.4E523 S524 L566 L570 I722E523-E568 HydrophobicContact CB-CG 4.43Å; S524-E568 VanDerWaalsContact CB-CD 3.5Å; S524-E568 WeakPolarHBondContact CB-OE1 3.27Å; S524-E568 WeakPolarHBondContact CB-OE2 3.42Å; S524-E568 PolarHBondContact N-OE1 2.97Å; S524-E568 PolarHBondContact OG-OE2 3.48Å; L566-E568 PolarHBondContact O-N 2.74Å; E568-L570 VanDerWaalsContact C-N 3.33Å; E568-I722 HydrophobicContact CB-CD1 4.23Å; E568-I722 HydrophobicContact CB-CG1 4.38Å; E568-I722 WeakPolarHBondContact O-CD1 3.35Å
569D80.6Confident87.2Confident24 Ų2423.4 Ų23.413%0.12812%0.12CC..THydrogen-bonded Turntrans-86.7-0.5179.5-68.4-14.1000113.4E567 S583 V584 R585 R725E567-D569 PolarHBondContact O-N 2.77Å; D569-S583 CarbonylContact O-C 3.5Å; D569-S583 VanDerWaalsContact O-CA 3.3Å; D569-S583 WeakPolarHBondContact O-CA 3.49Å; D569-V584 PolarHBondContact O-N 2.79Å; D569-R585 HydrophobicContact CB-CB 4.46Å; D569-R585 IonicContact OD2-CZ 3.55Å; D569-R585 IonicContact OD2-NE 3.39Å; D569-R585 PolarHBondContact OD2-NE 2.63Å; D569-R585 IonicContact OD2-NH2 3.3Å; D569-R585 PolarHBondContact OD2-NH2 3.11Å; D569-R725 IonicContact OD1-CZ 3.11Å; D569-R725 IonicContact OD1-NH1 2.66Å; D569-R725 PolarHBondContact OD1-NH1 2.73Å; D569-R725 IonicContact OD2-CZ 3.95Å; D569-R725 IonicContact OD2-NH1 2.86Å; D569-R725 PolarHBondContact OD2-NH1 2.68Å
570L89.1Confident87.3Confident9 Ų923.6 Ų23.65%0.04712%0.121CC..EExtended strand (participates in β ladder)trans-117.4128-175.9-66.6173.2000112.1A565 E567 E568 W582 V590 V622 N623A565-L570 HydrophobicContact CB-CB 4.02Å; A565-L570 PolarHBondContact N-O 2.73Å; E567-L570 HydrophobicContact CB-CD1 4.21Å; E567-L570 PolarHBondContact O-N 2.79Å; E567-L570 WeakPolarHBondContact OE2-CD1 3.38Å; E568-L570 VanDerWaalsContact C-N 3.33Å; L570-W582 WeakPolarHBondContact CA-O 3.3Å; L570-V590 HydrophobicContact CD2-CG2 3.65Å; L570-V622 HydrophobicContact CB-CG1 4.37Å; L570-V622 HydrophobicContact CD1-CG1 3.79Å; L570-N623 HydrophobicContact CD1-CB 3.68Å
571L92.1Very high87.5Confident0 Ų019.9 Ų19.90%011%0.107CC..EExtended strand (participates in β ladder)trans-116.1124.9179-170.767.9000109.9T520 A529 I536 L538 L562 F564 A581 W582 V584T520-L571 HydrophobicContact CG2-CD1 4.01Å; A529-L571 HydrophobicContact CB-CD1 4.04Å; A529-L571 HydrophobicContact CB-CD2 3.96Å; I536-L571 HydrophobicContact CD1-CD2 4.03Å; I536-L571 HydrophobicContact CG2-CD2 3.67Å; L538-L571 HydrophobicContact CD2-CD2 4.37Å; L562-L571 HydrophobicContact CD1-CD1 3.79Å; L562-L571 HydrophobicContact CD1-CD2 3.81Å; L562-L571 HydrophobicContact CD1-CG 3.62Å; L562-L571 HydrophobicContact CG-CD1 4.07Å; L562-L571 HydrophobicContact CG-CG 4.42Å; F564-L571 HydrophobicContact CD1-CD1 3.9Å; F564-L571 HydrophobicContact CD2-CD1 3.87Å; F564-L571 HydrophobicContact CE1-CD1 3.96Å; F564-L571 HydrophobicContact CE2-CD1 3.93Å; F564-L571 HydrophobicContact CG-CD1 3.87Å; F564-L571 HydrophobicContact CZ-CD1 3.97Å; L571-A581 CarbonylContact O-C 3.58Å; L571-A581 WeakPolarHBondContact O-CA 3.41Å; L571-W582 PolarHBondContact N-O 2.88Å; L571-W582 PolarHBondContact O-N 2.95Å; L571-V584 HydrophobicContact CB-CG2 3.91Å
572L93.5Very high87.4Confident0 Ų020.2 Ų20.20%011%0.108CC..EExtended strand (participates in β ladder)trans-97.4120.4-179.6-58173.8000109.4L562 E563 A565 A581 W591 I600 V602 V609 V622L562-L572 WeakPolarHBondContact CA-O 3.42Å; E563-L572 PolarHBondContact N-O 2.98Å; E563-L572 WeakPolarHBondContact O-CB 3.36Å; E563-L572 PolarHBondContact O-N 2.76Å; A565-L572 HydrophobicContact CB-CD1 4.48Å; L572-A581 HydrophobicContact CD2-CB 3.82Å; L572-W591 HydrophobicContact CD2-CH2 3.98Å; L572-W591 HydrophobicContact CD2-CZ2 3.98Å; L572-I600 HydrophobicContact CB-CD1 4.36Å; L572-V602 HydrophobicContact CD1-CG2 4.13Å; L572-V609 HydrophobicContact CD1-CG1 4.41Å; L572-V609 HydrophobicContact CD1-CG2 3.4Å; L572-V622 HydrophobicContact CD1-CG2 4.2Å; L572-V622 HydrophobicContact CD2-CG1 3.95Å; L572-V622 HydrophobicContact CD2-CG2 4.28Å
573A93.7Very high87.2Confident0 Ų020.6 Ų20.60%011%0.111CC..EExtended strand (participates in β ladder)trans-118.7118.4177.900000109.8I536 V552 V559 L562 T580I536-A573 HydrophobicContact CD1-CB 3.8Å; V552-A573 HydrophobicContact CG1-CB 3.46Å; V552-A573 VanDerWaalsContact CG1-CB 3.46Å; V559-A573 HydrophobicContact CG1-CB 4.21Å; L562-A573 HydrophobicContact CD1-CB 4.17Å; A573-T580 PolarHBondContact N-O 3.07Å; A573-T580 PolarHBondContact O-N 3.22Å
574M92.8Very high86.9Confident4 Ų419.2 Ų19.22%0.0210%0.104CC..EExtended strand (participates in β ladder)trans-99.9132.6175.6-169.2-177.169.900109.9V559 R560 Q561 L579 F597 I600V559-M574 CarbonylContact C-O 3.22Å; R560-M574 HydrophobicContact CB-CE 4.26Å; R560-M574 PolarHBondContact N-O 2.76Å; Q561-M574 HydrophobicContact CB-CB 4.11Å; Q561-M574 HydrophobicContact CB-CE 3.79Å; Q561-M574 PolarHBondContact N-O 2.69Å; Q561-M574 PolarHBondContact O-N 2.89Å; M574-L579 HydrophobicContact CB-CD1 4.11Å; M574-F597 HydrophobicContact CG-CB 4.26Å; M574-F597 HydrophobicContact SD-CB 3.59Å; M574-F597 VanDerWaalsContact SD-CB 3.59Å; M574-I600 HydrophobicContact CB-CD1 4.26Å; M574-I600 HydrophobicContact CB-CG1 4.49Å; M574-I600 HydrophobicContact SD-CG1 4.34Å; M574-I600 HydrophobicContact SD-CG2 3.79Å
575S90.6Very high86.5Confident2 Ų222.5 Ų22.51%0.01412%0.116CC..  trans-119.7179.6171.666.50000109.7C577 A578S575-C577 PolarHBondContact O-N 3.1Å; S575-C577 VanDerWaalsContact O-N 3.12Å; S575-A578 PolarHBondContact N-O 3.44Å; S575-A578 PolarHBondContact OG-N 3.12Å; S575-A578 VanDerWaalsContact OG-N 3.1Å; S575-A578 PolarHBondContact OG-O 2.87Å
576T85.1Confident86.4Confident44 Ų4427.8 Ų27.827%0.2714%0.14SC..SBendtrans-60.4-23.5179.974.50000113.8V557 R560 S596V557-T576 HydrophobicContact CG1-CG2 3.89Å; R560-T576 VanDerWaalsContact NE-CG2 3.32Å; T576-S596 PolarHBondContact O-OG 2.92Å; T576-S596 VanDerWaalsContact O-OG 3.07Å
577C87.5Confident86.8Confident61 Ų6127.8 Ų27.841%0.41214%0.14SC..SBendtrans-131-5-169.563.30000114.3S575 K594 M595S575-C577 PolarHBondContact O-N 3.1Å; S575-C577 VanDerWaalsContact O-N 3.12Å; C577-K594 CarbonylContact O-C 3.59Å; C577-M595 CarbonylContact C-O 3.58Å; C577-M595 CarbonylContact O-C 3.59Å; C577-M595 PolarHBondContact O-N 2.88Å
578A91.1Very high87.7Confident10 Ų1027.3 Ų27.38%0.08314%0.14CC..  trans-157.6146.7-177.900000113.5S575 T592 V593 M595S575-A578 PolarHBondContact N-O 3.44Å; S575-A578 PolarHBondContact OG-N 3.12Å; S575-A578 VanDerWaalsContact OG-N 3.1Å; S575-A578 PolarHBondContact OG-O 2.87Å; A578-T592 HydrophobicContact CB-CG2 3.87Å; A578-V593 CarbonylContact C-O 3.57Å; A578-V593 VanDerWaalsContact CA-O 3.27Å; A578-V593 WeakPolarHBondContact CA-O 3.31Å; A578-M595 PolarHBondContact N-O 2.83Å
579L92.7Very high88.8Confident1 Ų132.7 Ų32.71%0.00516%0.159CC..EExtended strand (participates in β ladder)trans-104.9126.3163.6177.563000108.7M574 W591 T592 V593 F597 I600 A611M574-L579 HydrophobicContact CB-CD1 4.11Å; L579-W591 HydrophobicContact CD2-CH2 4.15Å; L579-W591 HydrophobicContact CD2-CZ3 4.3Å; L579-W591 HydrophobicContact CG-CH2 4.14Å; L579-W591 HydrophobicContact CG-CZ3 4Å; L579-T592 CarbonylContact O-C 3.56Å; L579-T592 WeakPolarHBondContact O-CA 3.34Å; L579-V593 PolarHBondContact N-O 2.98Å; L579-V593 PolarHBondContact O-N 2.82Å; L579-F597 HydrophobicContact CB-CD2 3.78Å; L579-F597 HydrophobicContact CB-CE2 3.57Å; L579-F597 HydrophobicContact CD2-CE2 4.44Å; L579-I600 HydrophobicContact CD1-CD1 3.99Å; L579-I600 HydrophobicContact CD1-CG2 4.15Å; L579-I600 HydrophobicContact CD2-CG2 4.18Å; L579-A611 HydrophobicContact CD2-CB 4.38Å
580T92.2Very high89.2Confident4 Ų434.6 Ų34.63%0.02517%0.171CC..EExtended strand (participates in β ladder)trans-128.5132.7-176.4-57.30000111A573 W582 R589 W591 T592A573-T580 PolarHBondContact N-O 3.07Å; A573-T580 PolarHBondContact O-N 3.22Å; T580-W582 HydrophobicContact CG2-CZ2 4.44Å; T580-R589 HydrophobicContact CG2-CG 3.53Å; T580-W591 WeakPolarHBondContact CA-O 3.31Å; T580-W591 WeakPolarHBondContact CG2-O 3.47Å; T580-T592 WeakPolarHBondContact CG2-OG1 3.26Å; T580-T592 WeakPolarHBondContact OG1-CG2 3.34Å; T580-T592 PolarHBondContact OG1-OG1 3.26Å
581A92.3Very high89.3Confident0 Ų035.3 Ų35.30%017%0.173CC..EExtended strand (participates in β ladder)trans-99.3133.7169.100000111.3L571 L572 V590 W591L571-A581 CarbonylContact O-C 3.58Å; L571-A581 WeakPolarHBondContact O-CA 3.41Å; L572-A581 HydrophobicContact CD2-CB 3.82Å; A581-V590 PolarHBondContact O-N 2.85Å; A581-W591 HydrophobicContact CB-CD2 3.63Å; A581-W591 HydrophobicContact CB-CE3 4.15Å; A581-W591 HydrophobicContact CB-CG 4.17Å; A581-W591 HydrophobicContact CB-CH2 3.95Å; A581-W591 HydrophobicContact CB-CZ2 3.42Å; A581-W591 VanDerWaalsContact CB-CZ2 3.42Å; A581-W591 HydrophobicContact CB-CZ3 4.29Å; A581-W591 PolarHBondContact N-O 3.38Å; A581-W591 PolarHBondContact O-N 3.03Å
582W89.9Confident89.3Confident28 Ų2837.3 Ų37.311%0.10619%0.186CC..EExtended strand (participates in β ladder)trans-118.6136.4179-73.784.8000110.8M550 N551 V552 L570 L571 T580 V584 R589M550-W582 HydrophobicContact CE-CB 4.35Å; M550-W582 HydrophobicContact CE-CE3 4.23Å; M550-W582 HydrophobicContact SD-CB 3.84Å; M550-W582 HydrophobicContact SD-CD2 4.09Å; M550-W582 HydrophobicContact SD-CE3 4.08Å; M550-W582 HydrophobicContact SD-CG 3.98Å; N551-W582 VanDerWaalsContact O-CH2 3.31Å; N551-W582 WeakPolarHBondContact O-CH2 3.37Å; N551-W582 WeakPolarHBondContact O-CZ2 2.94Å; V552-W582 HydrophobicContact CB-CZ2 4.28Å; V552-W582 HydrophobicContact CG2-CD2 4.04Å; V552-W582 HydrophobicContact CG2-CG 4.18Å; V552-W582 HydrophobicContact CG2-CZ2 4.1Å; L570-W582 WeakPolarHBondContact CA-O 3.3Å; L571-W582 PolarHBondContact N-O 2.88Å; L571-W582 PolarHBondContact O-N 2.95Å; T580-W582 HydrophobicContact CG2-CZ2 4.44Å; W582-V584 PolarHBondContact O-N 2.9Å; W582-R589 HydrophobicContact CD2-CB 4.15Å; W582-R589 HydrophobicContact CD2-CG 4.47Å; W582-R589 HydrophobicContact CE3-CB 4.06Å; W582-R589 VanDerWaalsContact CE3-N 3.28Å; W582-R589 HydrophobicContact CH2-CB 3.69Å; W582-R589 HydrophobicContact CH2-CG 4.4Å; W582-R589 HydrophobicContact CZ2-CB 3.76Å; W582-R589 HydrophobicContact CZ2-CG 3.96Å; W582-R589 HydrophobicContact CZ3-CB 3.85Å; W582-R589 VanDerWaalsContact CZ3-N 3.28Å
583S88.8Confident89.2Confident9 Ų938.6 Ų38.66%0.06319%0.193CC..EExtended strand (participates in β ladder)trans-79.8117167.9-1770000108.9D569 R585 H586 L587 N588D569-S583 CarbonylContact O-C 3.5Å; D569-S583 VanDerWaalsContact O-CA 3.3Å; D569-S583 WeakPolarHBondContact O-CA 3.49Å; S583-R585 VanDerWaalsContact C-N 3.3Å; S583-H586 PolarHBondContact OG-CD2 3.02Å; S583-H586 PolarHBondContact OG-N 2.92Å; S583-L587 VanDerWaalsContact O-CA 3.24Å; S583-L587 WeakPolarHBondContact O-CA 3.25Å; S583-L587 PolarHBondContact O-N 3.23Å; S583-N588 WeakPolarHBondContact CB-OD1 3.2Å; S583-N588 PolarHBondContact N-O 2.85Å; S583-N588 PolarHBondContact O-N 2.86Å
584V85.7Confident89.1Confident0 Ų047.3 Ų47.30%023%0.231CC..THydrogen-bonded Turntrans-65.6-38173.7178.10000110.3M527 L538 F564 D569 L571 W582 L587 I722 L726M527-V584 HydrophobicContact CE-CG1 3.35Å; L538-V584 HydrophobicContact CD1-CG1 3.78Å; F564-V584 HydrophobicContact CE1-CG2 4.09Å; D569-V584 PolarHBondContact O-N 2.79Å; L571-V584 HydrophobicContact CB-CG2 3.91Å; W582-V584 PolarHBondContact O-N 2.9Å; V584-L587 WeakPolarHBondContact O-CD2 3.4Å; V584-I722 HydrophobicContact CG1-CG2 3.65Å; V584-L726 WeakPolarHBondContact O-CD2 3.27Å
585R82.6Confident88.9Confident84 Ų8450.7 Ų50.732%0.31725%0.248SC..THydrogen-bonded Turntrans-65.2-49.1178.2-173.6-170.3-61.8-158.43.6112.2D569 S583 R725 V729D569-R585 HydrophobicContact CB-CB 4.46Å; D569-R585 IonicContact OD2-CZ 3.55Å; D569-R585 IonicContact OD2-NE 3.39Å; D569-R585 PolarHBondContact OD2-NE 2.63Å; D569-R585 IonicContact OD2-NH2 3.3Å; D569-R585 PolarHBondContact OD2-NH2 3.11Å; S583-R585 VanDerWaalsContact C-N 3.3Å; R585-R725 HydrophobicContact CG-CB 4.36Å; R585-V729 HydrophobicContact CG-CG2 4.37Å
586H84.1Confident88.8Confident115 Ų11554.3 Ų54.353%0.53227%0.273SS..THydrogen-bonded Turntrans-94.2-3.1-174-60.5-61.2000113.6S583 N588S583-H586 PolarHBondContact OG-CD2 3.02Å; S583-H586 PolarHBondContact OG-N 2.92Å; H586-N588 WeakPolarHBondContact CB-OD1 3.35Å; H586-N588 PolarHBondContact O-N 3.48Å; H586-N588 VanDerWaalsContact O-N 3.11Å
587L84.2Confident89Confident60 Ų6052.4 Ų52.431%0.31426%0.261SS..THydrogen-bonded Turntrans50.333.2-176.6-58.2174.2000113L538 R548 M550 S583 V584L538-L587 HydrophobicContact CD1-CD2 4.16Å; R548-L587 HydrophobicContact CB-CD1 4.43Å; R548-L587 HydrophobicContact CB-CD2 4.12Å; R548-L587 HydrophobicContact CG-CD1 3.91Å; R548-L587 HydrophobicContact CG-CD2 4.25Å; M550-L587 HydrophobicContact CE-CB 4.41Å; M550-L587 HydrophobicContact CE-CD2 3.72Å; S583-L587 VanDerWaalsContact O-CA 3.24Å; S583-L587 WeakPolarHBondContact O-CA 3.25Å; S583-L587 PolarHBondContact O-N 3.23Å; V584-L587 WeakPolarHBondContact O-CD2 3.4Å
588N87.2Confident89Confident79 Ų7952.7 Ų52.742%0.42226%0.258SS..EExtended strand (participates in β ladder)trans-128.8159-176.570.9-3.3000111.6S583 H586S583-N588 WeakPolarHBondContact CB-OD1 3.2Å; S583-N588 PolarHBondContact N-O 2.85Å; S583-N588 PolarHBondContact O-N 2.86Å; H586-N588 WeakPolarHBondContact CB-OD1 3.35Å; H586-N588 PolarHBondContact O-N 3.48Å; H586-N588 VanDerWaalsContact O-N 3.11Å
589R89.1Confident89Confident152 Ų15254.6 Ų54.657%0.57427%0.267SS*.EExtended strand (participates in β ladder)trans-77.2125.5177.7-168.9173.272.2-178.8-7.7109.3T580 W582 T592T580-R589 HydrophobicContact CG2-CG 3.53Å; W582-R589 HydrophobicContact CD2-CB 4.15Å; W582-R589 HydrophobicContact CD2-CG 4.47Å; W582-R589 HydrophobicContact CE3-CB 4.06Å; W582-R589 VanDerWaalsContact CE3-N 3.28Å; W582-R589 HydrophobicContact CH2-CB 3.69Å; W582-R589 HydrophobicContact CH2-CG 4.4Å; W582-R589 HydrophobicContact CZ2-CB 3.76Å; W582-R589 HydrophobicContact CZ2-CG 3.96Å; W582-R589 HydrophobicContact CZ3-CB 3.85Å; W582-R589 VanDerWaalsContact CZ3-N 3.28Å; R589-T592 VanDerWaalsContact CD-OG1 3.29Å; R589-T592 WeakPolarHBondContact CD-OG1 3.42Å
590V89.5Confident89Confident64 Ų6454.6 Ų54.639%0.38827%0.267SS..EExtended strand (participates in β ladder)trans-84.7-50.8177-172.60000109.9L570 A581L570-V590 HydrophobicContact CD2-CG2 3.65Å; A581-V590 PolarHBondContact O-N 2.85Å
591W91.6Very high89Confident25 Ų2555 Ų5510%0.09527%0.27CS..EExtended strand (participates in β ladder)trans-157.3160.6178.452.9-106.2000111.7L572 L579 T580 A581 V593 V622 L625L572-W591 HydrophobicContact CD2-CH2 3.98Å; L572-W591 HydrophobicContact CD2-CZ2 3.98Å; L579-W591 HydrophobicContact CD2-CH2 4.15Å; L579-W591 HydrophobicContact CD2-CZ3 4.3Å; L579-W591 HydrophobicContact CG-CH2 4.14Å; L579-W591 HydrophobicContact CG-CZ3 4Å; T580-W591 WeakPolarHBondContact CA-O 3.31Å; T580-W591 WeakPolarHBondContact CG2-O 3.47Å; A581-W591 HydrophobicContact CB-CD2 3.63Å; A581-W591 HydrophobicContact CB-CE3 4.15Å; A581-W591 HydrophobicContact CB-CG 4.17Å; A581-W591 HydrophobicContact CB-CH2 3.95Å; A581-W591 HydrophobicContact CB-CZ2 3.42Å; A581-W591 VanDerWaalsContact CB-CZ2 3.42Å; A581-W591 HydrophobicContact CB-CZ3 4.29Å; A581-W591 PolarHBondContact N-O 3.38Å; A581-W591 PolarHBondContact O-N 3.03Å; W591-V593 HydrophobicContact CE3-CG2 4Å; W591-V593 HydrophobicContact CZ3-CG2 3.93Å; W591-V622 HydrophobicContact CZ2-CG1 4.05Å; W591-V622 PolarHBondContact NE1-O 2.81Å; W591-L625 HydrophobicContact CB-CD2 3.91Å; W591-L625 HydrophobicContact CD2-CB 4.29Å; W591-L625 HydrophobicContact CD2-CD1 4Å; W591-L625 HydrophobicContact CD2-CD2 3.79Å; W591-L625 HydrophobicContact CD2-CG 4.23Å; W591-L625 HydrophobicContact CE3-CD1 4.24Å; W591-L625 HydrophobicContact CE3-CD2 4Å; W591-L625 HydrophobicContact CG-CB 3.98Å; W591-L625 HydrophobicContact CG-CD2 3.77Å; W591-L625 HydrophobicContact CG-CG 4.31Å; W591-L625 HydrophobicContact CH2-CD1 4.15Å; W591-L625 HydrophobicContact CZ2-CD1 3.85Å; W591-L625 HydrophobicContact CZ3-CD1 4.33Å
592T91.3Very high88.9Confident42 Ų4256.6 Ų56.626%0.25828%0.279SS..EExtended strand (participates in β ladder)trans-135.5130.4172.3-63.50000110A578 L579 T580 R589 K594A578-T592 HydrophobicContact CB-CG2 3.87Å; L579-T592 CarbonylContact O-C 3.56Å; L579-T592 WeakPolarHBondContact O-CA 3.34Å; T580-T592 WeakPolarHBondContact CG2-OG1 3.26Å; T580-T592 WeakPolarHBondContact OG1-CG2 3.34Å; T580-T592 PolarHBondContact OG1-OG1 3.26Å; R589-T592 VanDerWaalsContact CD-OG1 3.29Å; R589-T592 WeakPolarHBondContact CD-OG1 3.42Å; T592-K594 HydrophobicContact CG2-CG 4.07Å
593V92.1Very high88.9Confident27 Ų2755.2 Ų55.216%0.16427%0.274CS..EExtended strand (participates in β ladder)trans-103.3110.9167.6-1790000107.9A578 L579 W591 M595 F597 F620 L625A578-V593 CarbonylContact C-O 3.57Å; A578-V593 VanDerWaalsContact CA-O 3.27Å; A578-V593 WeakPolarHBondContact CA-O 3.31Å; L579-V593 PolarHBondContact N-O 2.98Å; L579-V593 PolarHBondContact O-N 2.82Å; W591-V593 HydrophobicContact CE3-CG2 4Å; W591-V593 HydrophobicContact CZ3-CG2 3.93Å; V593-M595 HydrophobicContact CG1-CB 4.42Å; V593-M595 PolarHBondContact O-N 2.82Å; V593-F597 HydrophobicContact CB-CE2 4.48Å; V593-F597 HydrophobicContact CG1-CE2 4.13Å; V593-F597 HydrophobicContact CG1-CZ 3.96Å; V593-F620 HydrophobicContact CG1-CZ 4.42Å; V593-L625 HydrophobicContact CG2-CD1 4.48Å; V593-L625 HydrophobicContact CG2-CD2 3.99Å
594K91Very high88.7Confident182 Ų18258.2 Ų58.279%0.79129%0.293SS*.  trans-83.795.5178.5-67.4-172.9178.4-174.10110.2C577 T592C577-K594 CarbonylContact O-C 3.59Å; T592-K594 HydrophobicContact CG2-CG 4.07Å
595M89Confident88.6Confident76 Ų7660.5 Ų60.537%0.37431%0.305SS..SBendtrans-157.4148.7178.3-172.1165.1-75.200109.1C577 A578 V593 F597 T613 L618C577-M595 CarbonylContact C-O 3.58Å; C577-M595 CarbonylContact O-C 3.59Å; C577-M595 PolarHBondContact O-N 2.88Å; A578-M595 PolarHBondContact N-O 2.83Å; V593-M595 HydrophobicContact CG1-CB 4.42Å; V593-M595 PolarHBondContact O-N 2.82Å; M595-F597 HydrophobicContact CB-CD2 4.33Å; M595-F597 HydrophobicContact CB-CE1 4.38Å; M595-F597 HydrophobicContact CB-CE2 3.72Å; M595-F597 HydrophobicContact CB-CZ 3.76Å; M595-F597 HydrophobicContact CG-CE1 4.3Å; M595-F597 HydrophobicContact CG-CE2 4.46Å; M595-F597 HydrophobicContact CG-CZ 4.16Å; M595-F597 WeakPolarHBondContact O-CD2 3.39Å; M595-F597 PolarHBondContact O-N 2.8Å; M595-F597 HydrophobicContact SD-CE1 4.15Å; M595-F597 HydrophobicContact SD-CZ 4.19Å; M595-T613 HydrophobicContact CG-CG2 4.12Å; M595-T613 HydrophobicContact SD-CG2 3.75Å; M595-L618 HydrophobicContact SD-CD1 3.83Å
596S88.6Confident88.7Confident78 Ų7857.9 Ų57.955%0.54530%0.3SS..  trans-81.5101174.6-66.90000110.2T576T576-S596 PolarHBondContact O-OG 2.92Å; T576-S596 VanDerWaalsContact O-OG 3.07Å
597F89.2Confident88.8Confident4 Ų452.8 Ų52.82%0.01828%0.279CS..  trans-91.6143.4173.7-62.6-72.8000110.4M574 L579 V593 M595 A611 F612 T613 L618 F620M574-F597 HydrophobicContact CG-CB 4.26Å; M574-F597 HydrophobicContact SD-CB 3.59Å; M574-F597 VanDerWaalsContact SD-CB 3.59Å; L579-F597 HydrophobicContact CB-CD2 3.78Å; L579-F597 HydrophobicContact CB-CE2 3.57Å; L579-F597 HydrophobicContact CD2-CE2 4.44Å; V593-F597 HydrophobicContact CB-CE2 4.48Å; V593-F597 HydrophobicContact CG1-CE2 4.13Å; V593-F597 HydrophobicContact CG1-CZ 3.96Å; M595-F597 HydrophobicContact CB-CD2 4.33Å; M595-F597 HydrophobicContact CB-CE1 4.38Å; M595-F597 HydrophobicContact CB-CE2 3.72Å; M595-F597 HydrophobicContact CB-CZ 3.76Å; M595-F597 HydrophobicContact CG-CE1 4.3Å; M595-F597 HydrophobicContact CG-CE2 4.46Å; M595-F597 HydrophobicContact CG-CZ 4.16Å; M595-F597 WeakPolarHBondContact O-CD2 3.39Å; M595-F597 PolarHBondContact O-N 2.8Å; M595-F597 HydrophobicContact SD-CE1 4.15Å; M595-F597 HydrophobicContact SD-CZ 4.19Å; F597-A611 HydrophobicContact CD1-CB 3.49Å; F597-A611 VanDerWaalsContact CD1-CB 3.49Å; F597-A611 HydrophobicContact CE1-CB 3.44Å; F597-A611 VanDerWaalsContact CE1-CB 3.44Å; F597-A611 HydrophobicContact CG-CB 4.22Å; F597-A611 HydrophobicContact CZ-CB 4.13Å; F597-F612 CarbonylContact C-O 3.57Å; F597-F612 VanDerWaalsContact CA-O 3.29Å; F597-F612 WeakPolarHBondContact CA-O 3.47Å; F597-T613 HydrophobicContact CD1-CG2 3.65Å; F597-T613 HydrophobicContact CE1-CG2 3.78Å; F597-L618 HydrophobicContact CE1-CD1 4.19Å; F597-F620 HydrophobicContact CE1-CE2 4.32Å; F597-F620 HydrophobicContact CZ-CE2 4.14Å; F597-F620 HydrophobicContact CZ-CZ 4.39Å
598L87.7Confident89.1Confident66 Ų6651 Ų5135%0.34627%0.269SS..SBendtrans-82.4-45.9173.3-63.4176.1000110.5F612 I614L598-F612 PolarHBondContact N-O 2.87Å; L598-I614 HydrophobicContact CD1-CG1 4.3Å; L598-I614 HydrophobicContact CD2-CG1 4.23Å; L598-I614 HydrophobicContact CG-CG1 4.45Å
599N89.5Confident89.3Confident50 Ų5047.3 Ų47.327%0.26725%0.25SC..EExtended strand (participates in β ladder)trans-156.1156.9-179-159.9-54.4000110Q561 F612Q561-N599 PolarHBondContact NE2-OD1 2.61Å; Q561-N599 PolarHBondContact OE1-OD1 3.04Å; N599-F612 PolarHBondContact O-N 2.92Å
600I92.9Very high89.6Confident1 Ų140.1 Ų40.11%0.00522%0.222CC..EExtended strand (participates in β ladder)trans-120.1141.3166.456.9168.1000110.9Q561 L572 M574 L579 V609 A610 A611Q561-I600 HydrophobicContact CB-CG1 4.46Å; Q561-I600 HydrophobicContact CG-CG1 4.09Å; Q561-I600 PolarHBondContact NE2-O 3.4Å; Q561-I600 VanDerWaalsContact OE1-CG1 3.29Å; Q561-I600 VanDerWaalsContact OE1-N 3.1Å; L572-I600 HydrophobicContact CB-CD1 4.36Å; M574-I600 HydrophobicContact CB-CD1 4.26Å; M574-I600 HydrophobicContact CB-CG1 4.49Å; M574-I600 HydrophobicContact SD-CG1 4.34Å; M574-I600 HydrophobicContact SD-CG2 3.79Å; L579-I600 HydrophobicContact CD1-CD1 3.99Å; L579-I600 HydrophobicContact CD1-CG2 4.15Å; L579-I600 HydrophobicContact CD2-CG2 4.18Å; I600-V609 HydrophobicContact CB-CG1 4.23Å; I600-V609 HydrophobicContact CG2-CG1 4.41Å; I600-A610 CarbonylContact C-O 3.5Å; I600-A610 WeakPolarHBondContact CA-O 3.39Å; I600-A611 HydrophobicContact CG2-CB 3.82Å
601C92Very high89.8Confident14 Ų1437 Ų3710%0.09520%0.204CC..EExtended strand (participates in β ladder)trans-125.3141.516560.90000110.2V609 A610 F644 L658C601-V609 CarbonylContact O-C 3.53Å; C601-V609 WeakPolarHBondContact O-CA 3.49Å; C601-A610 PolarHBondContact N-O 3.15Å; C601-A610 PolarHBondContact O-N 3.43Å; C601-F644 HydrophobicContact CB-CD2 4.1Å; C601-F644 HydrophobicContact CB-CE2 4.46Å; C601-F644 VanDerWaalsContact SG-CD2 3.54Å; C601-F644 VanDerWaalsContact SG-CE2 3.51Å; C601-L658 VanDerWaalsContact SG-CD1 3.59Å
602V91.2Very high89.9Confident32 Ų3236 Ų3619%0.19420%0.2CC..EExtended strand (participates in β ladder)trans-104.8130.2178.5-171.60000107.6E563 L572 P604 V609E563-V602 HydrophobicContact CB-CG2 3.92Å; E563-V602 HydrophobicContact CG-CG2 4.26Å; L572-V602 HydrophobicContact CD1-CG2 4.13Å; V602-P604 WeakPolarHBondContact O-CD 3.49Å; V602-V609 HydrophobicContact CG1-CG2 4.45Å; V602-V609 HydrophobicContact CG2-CG2 4.24Å
603D90Very high89.9Confident0 Ų034.5 Ų34.50%019%0.191CC..  trans-68118.3171.1-179.8-6.1000108.5I605 S606 G607 I608 F644 L655 S656D603-I605 PolarHBondContact O-N 2.93Å; D603-I605 VanDerWaalsContact O-N 3.11Å; D603-I605 PolarHBondContact OD1-N 3.48Å; D603-S606 WeakPolarHBondContact CB-OG 3.33Å; D603-S606 WeakPolarHBondContact OD2-CB 3.47Å; D603-S606 PolarHBondContact OD2-OG 3.41Å; D603-G607 WeakPolarHBondContact O-CA 3.48Å; D603-G607 PolarHBondContact O-N 2.84Å; D603-I608 WeakPolarHBondContact CB-O 3.16Å; D603-I608 PolarHBondContact N-O 2.85Å; D603-F644 HydrophobicContact CB-CD1 4.06Å; D603-F644 HydrophobicContact CB-CD2 3.96Å; D603-F644 HydrophobicContact CB-CE1 4.15Å; D603-F644 HydrophobicContact CB-CE2 4.07Å; D603-F644 HydrophobicContact CB-CG 3.95Å; D603-F644 HydrophobicContact CB-CZ 4.16Å; D603-L655 WeakPolarHBondContact OD2-CD2 3.3Å; D603-S656 WeakPolarHBondContact OD1-CB 3.23Å; D603-S656 PolarHBondContact OD1-OG 2.89Å; D603-S656 PolarHBondContact OD2-N 2.99Å
604P83.6Confident89.7Confident71 Ų7138.6 Ų38.646%0.46121%0.21SC..THydrogen-bonded Turntrans-65.9-12.5-176.928.4-37.4000113.9L566 V602 P646L566-P604 WeakPolarHBondContact CD1-O 3.43Å; V602-P604 WeakPolarHBondContact O-CD 3.49Å; P604-P646 HydrophobicContact CG-CG 3.8Å
605I84.3Confident89.6Confident48 Ų4838.4 Ų38.425%0.24621%0.21CC..THydrogen-bonded Turntrans-105.9-48.8-177.5-64.8178.2000111.7L566 D603 P646 A650L566-I605 VanDerWaalsContact CD2-O 3.3Å; L566-I605 WeakPolarHBondContact CD2-O 3.08Å; D603-I605 PolarHBondContact O-N 2.93Å; D603-I605 VanDerWaalsContact O-N 3.11Å; D603-I605 PolarHBondContact OD1-N 3.48Å; I605-P646 HydrophobicContact CD1-CB 3.83Å; I605-P646 HydrophobicContact CD1-CG 4.39Å; I605-A650 HydrophobicContact CD1-CB 3.27Å
606S84.7Confident89.7Confident29 Ų2937.5 Ų37.520%0.20320%0.204CC..THydrogen-bonded Turntrans-91.2-17.2-176.570.80000113.8D603 I608 L655D603-S606 WeakPolarHBondContact CB-OG 3.33Å; D603-S606 WeakPolarHBondContact OD2-CB 3.47Å; D603-S606 PolarHBondContact OD2-OG 3.41Å; S606-I608 PolarHBondContact O-N 2.88Å; S606-I608 WeakPolarHBondContact OG-CB 3.27Å; S606-I608 PolarHBondContact OG-N 3.49Å; S606-L655 WeakPolarHBondContact OG-CD2 3.39Å
607G86.1Confident89.9Confident9 Ų933.8 Ų33.89%0.09318%0.178CC..  trans70.66.8-172.900000114.5D603D603-G607 WeakPolarHBondContact O-CA 3.48Å; D603-G607 PolarHBondContact O-N 2.84Å
608I89.9Confident90.1Very high23 Ų2334 Ų3412%0.11818%0.179CC..  trans-69.6142.1174.5-72.4169.2000109.4D603 S606 L619 L628 L655D603-I608 WeakPolarHBondContact CB-O 3.16Å; D603-I608 PolarHBondContact N-O 2.85Å; S606-I608 PolarHBondContact O-N 2.88Å; S606-I608 WeakPolarHBondContact OG-CB 3.27Å; S606-I608 PolarHBondContact OG-N 3.49Å; I608-L619 HydrophobicContact CG2-CB 4.44Å; I608-L619 HydrophobicContact CG2-CD2 3.67Å; I608-L619 HydrophobicContact CG2-CG 3.77Å; I608-L628 HydrophobicContact CD1-CD1 3.54Å; I608-L628 HydrophobicContact CG1-CD1 3.95Å; I608-L628 HydrophobicContact CG2-CD1 4.15Å; I608-L655 HydrophobicContact CB-CD2 3.88Å; I608-L655 HydrophobicContact CD1-CD2 3.4Å; I608-L655 VanDerWaalsContact CD1-CD2 3.4Å; I608-L655 HydrophobicContact CD1-CG 4.16Å; I608-L655 HydrophobicContact CG1-CD2 4.15Å; I608-L655 HydrophobicContact CG2-CD2 4.11Å
609V92.7Very high90.4Very high1 Ų130.8 Ų30.81%0.00616%0.162CC..EExtended strand (participates in β ladder)trans-109.5125.1-176.8-178.40000109.1L572 I600 C601 V602 L619 F620 V622L572-V609 HydrophobicContact CD1-CG1 4.41Å; L572-V609 HydrophobicContact CD1-CG2 3.4Å; I600-V609 HydrophobicContact CB-CG1 4.23Å; I600-V609 HydrophobicContact CG2-CG1 4.41Å; C601-V609 CarbonylContact O-C 3.53Å; C601-V609 WeakPolarHBondContact O-CA 3.49Å; V602-V609 HydrophobicContact CG1-CG2 4.45Å; V602-V609 HydrophobicContact CG2-CG2 4.24Å; V609-L619 CarbonylContact O-C 3.58Å; V609-L619 WeakPolarHBondContact O-CA 3.22Å; V609-F620 PolarHBondContact N-O 2.8Å; V609-F620 PolarHBondContact O-N 3.39Å; V609-V622 HydrophobicContact CB-CG2 4.45Å; V609-V622 HydrophobicContact CG2-CG2 3.35Å
610A94.3Very high90.4Very high0 Ų029 Ų290%015%0.152CC..EExtended strand (participates in β ladder)trans-97.5120166.200000109.2I600 C601 F612 L618 L619 F644 L658I600-A610 CarbonylContact C-O 3.5Å; I600-A610 WeakPolarHBondContact CA-O 3.39Å; C601-A610 PolarHBondContact N-O 3.15Å; C601-A610 PolarHBondContact O-N 3.43Å; A610-F612 HydrophobicContact CB-CE2 3.86Å; A610-F612 HydrophobicContact CB-CZ 4.47Å; A610-L618 WeakPolarHBondContact CA-O 3.49Å; A610-L619 HydrophobicContact CB-CD1 3.69Å; A610-L619 HydrophobicContact CB-CG 4.48Å; A610-F644 HydrophobicContact CB-CE2 3.75Å; A610-F644 HydrophobicContact CB-CZ 3.83Å; A610-L658 HydrophobicContact CB-CD1 4.29Å; A610-L658 HydrophobicContact CB-CD2 3.83Å
611A94.6Very high90.2Very high0 Ų033.6 Ų33.60%017%0.172CC..EExtended strand (participates in β ladder)trans-111.5121.8178.500000110L579 F597 I600 A617 L618 F620L579-A611 HydrophobicContact CD2-CB 4.38Å; F597-A611 HydrophobicContact CD1-CB 3.49Å; F597-A611 VanDerWaalsContact CD1-CB 3.49Å; F597-A611 HydrophobicContact CE1-CB 3.44Å; F597-A611 VanDerWaalsContact CE1-CB 3.44Å; F597-A611 HydrophobicContact CG-CB 4.22Å; F597-A611 HydrophobicContact CZ-CB 4.13Å; I600-A611 HydrophobicContact CG2-CB 3.82Å; A611-A617 CarbonylContact O-C 3.6Å; A611-A617 WeakPolarHBondContact O-CA 3.27Å; A611-L618 PolarHBondContact N-O 2.77Å; A611-L618 PolarHBondContact O-N 2.63Å; A611-F620 HydrophobicContact CB-CD2 4.07Å; A611-F620 HydrophobicContact CB-CE2 3.79Å
612F93.5Very high89.9Confident2 Ų233.3 Ų33.31%0.00917%0.17CC..EExtended strand (participates in β ladder)trans-96.2133.9-173.2-70.4-102.1000110.6F597 L598 N599 A610 A617 Y633 A639 S642 L658 Y660F597-F612 CarbonylContact C-O 3.57Å; F597-F612 VanDerWaalsContact CA-O 3.29Å; F597-F612 WeakPolarHBondContact CA-O 3.47Å; L598-F612 PolarHBondContact N-O 2.87Å; N599-F612 PolarHBondContact O-N 2.92Å; A610-F612 HydrophobicContact CB-CE2 3.86Å; A610-F612 HydrophobicContact CB-CZ 4.47Å; F612-A617 HydrophobicContact CD1-CB 3.71Å; F612-A617 HydrophobicContact CE1-CB 3.74Å; F612-A617 HydrophobicContact CG-CB 4.16Å; F612-A617 HydrophobicContact CZ-CB 4.21Å; F612-Y633 HydrophobicContact CD1-CE1 4.13Å; F612-Y633 VanDerWaalsContact CD1-OH 3.31Å; F612-Y633 WeakPolarHBondContact CD1-OH 3.14Å; F612-Y633 HydrophobicContact CE1-CE1 4.42Å; F612-A639 HydrophobicContact CD1-CB 3.38Å; F612-A639 HydrophobicContact CE1-CB 3.81Å; F612-A639 HydrophobicContact CG-CB 4.29Å; F612-S642 WeakPolarHBondContact CD2-OG 3.23Å; F612-S642 VanDerWaalsContact CE2-OG 3.24Å; F612-S642 WeakPolarHBondContact CE2-OG 3.43Å; F612-L658 HydrophobicContact CE2-CD1 4.37Å; F612-L658 HydrophobicContact CZ-CD1 4.04Å; F612-L658 HydrophobicContact CZ-CD2 3.97Å; F612-L658 HydrophobicContact CZ-CG 4.28Å; F612-Y660 HydrophobicContact CE1-CD1 4.25Å; F612-Y660 HydrophobicContact CE1-CG 4.04Å
613T91.3Very high89.6Confident12 Ų1234.9 Ų34.97%0.07418%0.177CC..  trans-115.8-178.9172.372.60000109.2M595 F597 K615 K616 Y633M595-T613 HydrophobicContact CG-CG2 4.12Å; M595-T613 HydrophobicContact SD-CG2 3.75Å; F597-T613 HydrophobicContact CD1-CG2 3.65Å; F597-T613 HydrophobicContact CE1-CG2 3.78Å; T613-K615 PolarHBondContact O-N 2.89Å; T613-K615 PolarHBondContact OG1-N 2.89Å; T613-K616 WeakPolarHBondContact CB-O 3.46Å; T613-K616 PolarHBondContact N-O 3.46Å; T613-K616 PolarHBondContact OG1-N 3.01Å; T613-K616 VanDerWaalsContact OG1-N 3.11Å; T613-K616 PolarHBondContact OG1-O 2.62Å; T613-Y633 PolarHBondContact N-OH 2.82Å; T613-Y633 VanDerWaalsContact O-CE2 3.3Å; T613-Y633 WeakPolarHBondContact O-CE2 3.45Å; T613-Y633 PolarHBondContact O-OH 2.92Å
614I87.2Confident89.3Confident112 Ų11239.4 Ų39.457%0.57421%0.206SC*.SBendtrans-64-30.8176.1-61.5169.3000111.9L598 S638L598-I614 HydrophobicContact CD1-CG1 4.3Å; L598-I614 HydrophobicContact CD2-CG1 4.23Å; L598-I614 HydrophobicContact CG-CG1 4.45Å; I614-S638 WeakPolarHBondContact O-CB 3.36Å
615K88.6Confident89.5Confident178 Ų17839.2 Ų39.277%0.77420%0.201SC*.SBendtrans-108.9-27.5-170.5-65.4-171.8178.1-174.40115T613 Y633T613-K615 PolarHBondContact O-N 2.89Å; T613-K615 PolarHBondContact OG1-N 2.89Å; K615-Y633 VanDerWaalsContact O-CD2 3.23Å; K615-Y633 WeakPolarHBondContact O-CD2 3.19Å
616K91.5Very high89.7Confident57 Ų5739.1 Ų39.125%0.24821%0.205CC..EExtended strand (participates in β ladder)trans-157.6158.9-174.459-178-177.1174.70111.8T613 L618 E630 I631 Y633T613-K616 WeakPolarHBondContact CB-O 3.46Å; T613-K616 PolarHBondContact N-O 3.46Å; T613-K616 PolarHBondContact OG1-N 3.01Å; T613-K616 VanDerWaalsContact OG1-N 3.11Å; T613-K616 PolarHBondContact OG1-O 2.62Å; K616-L618 HydrophobicContact CD-CD2 4.15Å; K616-L618 HydrophobicContact CG-CD2 4.41Å; K616-E630 IonicContact NZ-OE1 3.17Å; K616-E630 PolarHBondContact NZ-OE1 3.02Å; K616-E630 IonicContact NZ-OE2 3.34Å; K616-E630 PolarHBondContact NZ-OE2 3.11Å; K616-I631 WeakPolarHBondContact CA-O 3.32Å; K616-I631 VanDerWaalsContact CB-O 3.31Å; K616-I631 WeakPolarHBondContact CB-O 3.17Å; K616-Y633 PolarHBondContact O-OH 2.88Å; K616-Y633 VanDerWaalsContact O-OH 3.04Å
617A93.2Very high89.9Confident1 Ų140.9 Ų40.91%0.00822%0.217CC..EExtended strand (participates in β ladder)trans-100.4142.8166.600000110.3A611 F612 I631 Y633A611-A617 CarbonylContact O-C 3.6Å; A611-A617 WeakPolarHBondContact O-CA 3.27Å; F612-A617 HydrophobicContact CD1-CB 3.71Å; F612-A617 HydrophobicContact CE1-CB 3.74Å; F612-A617 HydrophobicContact CG-CB 4.16Å; F612-A617 HydrophobicContact CZ-CB 4.21Å; A617-I631 HydrophobicContact CB-CB 4.23Å; A617-I631 PolarHBondContact N-O 3.2Å; A617-I631 PolarHBondContact O-N 3.08Å; A617-Y633 HydrophobicContact CB-CE1 4.04Å; A617-Y633 PolarHBondContact N-OH 2.81Å
618L93.8Very high90Very high7 Ų742.7 Ų42.74%0.03722%0.224CC..EExtended strand (participates in β ladder)trans-115.1127.1178.8-61.6179.1000109.1M595 F597 A610 A611 K616 F620 E630M595-L618 HydrophobicContact SD-CD1 3.83Å; F597-L618 HydrophobicContact CE1-CD1 4.19Å; A610-L618 WeakPolarHBondContact CA-O 3.49Å; A611-L618 PolarHBondContact N-O 2.77Å; A611-L618 PolarHBondContact O-N 2.63Å; K616-L618 HydrophobicContact CD-CD2 4.15Å; K616-L618 HydrophobicContact CG-CD2 4.41Å; L618-F620 HydrophobicContact CB-CD2 4.28Å; L618-F620 HydrophobicContact CB-CE1 4.39Å; L618-F620 HydrophobicContact CB-CE2 3.52Å; L618-F620 HydrophobicContact CB-CZ 3.59Å; L618-F620 HydrophobicContact CD1-CE2 4.18Å; L618-F620 HydrophobicContact CD1-CZ 3.64Å; L618-F620 HydrophobicContact CG-CZ 4.25Å; L618-E630 HydrophobicContact CD2-CB 3.95Å; L618-E630 HydrophobicContact CD2-CG 3.57Å
619L93Very high90Very high0 Ų041.7 Ų41.70%022%0.219CC..EExtended strand (participates in β ladder)trans-94.2123.7171.6-112.877.2000110.2I608 V609 A610 C627 L628 T629 I631 L655 L658 W672I608-L619 HydrophobicContact CG2-CB 4.44Å; I608-L619 HydrophobicContact CG2-CD2 3.67Å; I608-L619 HydrophobicContact CG2-CG 3.77Å; V609-L619 CarbonylContact O-C 3.58Å; V609-L619 WeakPolarHBondContact O-CA 3.22Å; A610-L619 HydrophobicContact CB-CD1 3.69Å; A610-L619 HydrophobicContact CB-CG 4.48Å; L619-C627 CarbonylContact O-C 3.51Å; L619-L628 HydrophobicContact CB-CB 4.37Å; L619-L628 PolarHBondContact O-N 2.76Å; L619-T629 PolarHBondContact N-O 2.91Å; L619-I631 HydrophobicContact CD1-CD1 3.78Å; L619-L655 HydrophobicContact CD2-CD1 3.85Å; L619-L658 HydrophobicContact CD1-CD2 4.2Å; L619-W672 HydrophobicContact CD1-CH2 3.63Å; L619-W672 HydrophobicContact CD1-CZ2 4.33Å; L619-W672 HydrophobicContact CD2-CH2 3.35Å; L619-W672 HydrophobicContact CD2-CZ2 3.94Å; L619-W672 HydrophobicContact CD2-CZ3 3.81Å; L619-W672 HydrophobicContact CG-CH2 4.13Å
620F90.3Very high89.9Confident12 Ų1245.5 Ų45.55%0.05324%0.236CC..EExtended strand (participates in β ladder)trans-115.8133.9179-61.9-71.3000111.2V593 F597 V609 A611 L618 L625 S626 C627V593-F620 HydrophobicContact CG1-CZ 4.42Å; F597-F620 HydrophobicContact CE1-CE2 4.32Å; F597-F620 HydrophobicContact CZ-CE2 4.14Å; F597-F620 HydrophobicContact CZ-CZ 4.39Å; V609-F620 PolarHBondContact N-O 2.8Å; V609-F620 PolarHBondContact O-N 3.39Å; A611-F620 HydrophobicContact CB-CD2 4.07Å; A611-F620 HydrophobicContact CB-CE2 3.79Å; L618-F620 HydrophobicContact CB-CD2 4.28Å; L618-F620 HydrophobicContact CB-CE1 4.39Å; L618-F620 HydrophobicContact CB-CE2 3.52Å; L618-F620 HydrophobicContact CB-CZ 3.59Å; L618-F620 HydrophobicContact CD1-CE2 4.18Å; L618-F620 HydrophobicContact CD1-CZ 3.64Å; L618-F620 HydrophobicContact CG-CZ 4.25Å; F620-L625 HydrophobicContact CB-CD1 4.48Å; F620-L625 HydrophobicContact CD1-CD1 4.04Å; F620-S626 WeakPolarHBondContact CA-O 3.44Å; F620-C627 HydrophobicContact CD1-CB 4.18Å; F620-C627 HydrophobicContact CE1-CB 4.05Å
621K88.9Confident89.8Confident98 Ų9845.5 Ų45.543%0.42624%0.237SC..EExtended strand (participates in β ladder)trans-80.6128.9153-170.8171.1-177.1172.10107.8N623 L625 S626 L628K621-N623 WeakPolarHBondContact CE-O 3.41Å; K621-L625 WeakPolarHBondContact O-CA 3.38Å; K621-S626 WeakPolarHBondContact CB-OG 3.29Å; K621-S626 PolarHBondContact N-O 3.28Å; K621-S626 PolarHBondContact O-N 3.45Å; K621-S626 VanDerWaalsContact O-N 3.15Å; K621-L628 HydrophobicContact CB-CD1 4.19Å; K621-L628 HydrophobicContact CB-CD2 4.19Å; K621-L628 HydrophobicContact CB-CG 4.23Å
622V85.8Confident89.6Confident7 Ų752.4 Ų52.44%0.04227%0.269CS..THydrogen-bonded Turntrans-71.5-38.4-173.8178.10000111.9A565 L570 L572 W591 V609A565-V622 HydrophobicContact CB-CG1 4.12Å; A565-V622 HydrophobicContact CB-CG2 4.33Å; L570-V622 HydrophobicContact CB-CG1 4.37Å; L570-V622 HydrophobicContact CD1-CG1 3.79Å; L572-V622 HydrophobicContact CD1-CG2 4.2Å; L572-V622 HydrophobicContact CD2-CG1 3.95Å; L572-V622 HydrophobicContact CD2-CG2 4.28Å; W591-V622 HydrophobicContact CZ2-CG1 4.05Å; W591-V622 PolarHBondContact NE1-O 2.81Å; V609-V622 HydrophobicContact CB-CG2 4.45Å; V609-V622 HydrophobicContact CG2-CG2 3.35Å
623N84.3Confident89.3Confident66 Ų6653 Ų5335%0.35327%0.271SS..THydrogen-bonded Turntrans-145.2121.3-175.7-165.220000112.3E567 L570 K621E567-N623 WeakPolarHBondContact OE2-CB 3.46Å; E567-N623 PolarHBondContact OE2-ND2 2.98Å; L570-N623 HydrophobicContact CD1-CB 3.68Å; K621-N623 WeakPolarHBondContact CE-O 3.41Å
624P83.9Confident88.8Confident94 Ų9454 Ų5461%0.6128%0.277SS*.THydrogen-bonded Turncis-60150.4-16.930.1-35.5000110.3S626P624-S626 PolarHBondContact O-N 3.2Å
625L88.2Confident88.1Confident68 Ų6854.1 Ų54.136%0.35628%0.279SS..THydrogen-bonded Turntrans-57114176.8177.364.3000109.5W591 V593 F620 K621W591-L625 HydrophobicContact CB-CD2 3.91Å; W591-L625 HydrophobicContact CD2-CB 4.29Å; W591-L625 HydrophobicContact CD2-CD1 4Å; W591-L625 HydrophobicContact CD2-CD2 3.79Å; W591-L625 HydrophobicContact CD2-CG 4.23Å; W591-L625 HydrophobicContact CE3-CD1 4.24Å; W591-L625 HydrophobicContact CE3-CD2 4Å; W591-L625 HydrophobicContact CG-CB 3.98Å; W591-L625 HydrophobicContact CG-CD2 3.77Å; W591-L625 HydrophobicContact CG-CG 4.31Å; W591-L625 HydrophobicContact CH2-CD1 4.15Å; W591-L625 HydrophobicContact CZ2-CD1 3.85Å; W591-L625 HydrophobicContact CZ3-CD1 4.33Å; V593-L625 HydrophobicContact CG2-CD1 4.48Å; V593-L625 HydrophobicContact CG2-CD2 3.99Å; F620-L625 HydrophobicContact CB-CD1 4.48Å; F620-L625 HydrophobicContact CD1-CD1 4.04Å; K621-L625 WeakPolarHBondContact O-CA 3.38Å
626S88.8Confident87.6Confident45 Ų4554.1 Ų54.132%0.31528%0.282SS..EExtended strand (participates in β ladder)trans-142.6133.5171.356.60000110.4F620 K621 P624 L628F620-S626 WeakPolarHBondContact CA-O 3.44Å; K621-S626 WeakPolarHBondContact CB-OG 3.29Å; K621-S626 PolarHBondContact N-O 3.28Å; K621-S626 PolarHBondContact O-N 3.45Å; K621-S626 VanDerWaalsContact O-N 3.15Å; P624-S626 PolarHBondContact O-N 3.2Å; S626-L628 PolarHBondContact O-N 2.97Å
627C89.1Confident86.9Confident67 Ų6753.2 Ų53.245%0.45328%0.28SS..EExtended strand (participates in β ladder)trans-77.7112.1170.6-1720000107.6L619 F620L619-C627 CarbonylContact O-C 3.51Å; F620-C627 HydrophobicContact CD1-CB 4.18Å; F620-C627 HydrophobicContact CE1-CB 4.05Å
628L87.7Confident86.5Confident46 Ų4654.3 Ų54.324%0.24129%0.288CS..EExtended strand (participates in β ladder)trans-79.3-44.4-176-62.1176.6000111.2M1 I608 L619 K621 S626M1-L628 WeakPolarHBondContact CA-O 3.12Å; I608-L628 HydrophobicContact CD1-CD1 3.54Å; I608-L628 HydrophobicContact CG1-CD1 3.95Å; I608-L628 HydrophobicContact CG2-CD1 4.15Å; L619-L628 HydrophobicContact CB-CB 4.37Å; L619-L628 PolarHBondContact O-N 2.76Å; K621-L628 HydrophobicContact CB-CD1 4.19Å; K621-L628 HydrophobicContact CB-CD2 4.19Å; K621-L628 HydrophobicContact CB-CG 4.23Å; S626-L628 PolarHBondContact O-N 2.97Å
629T89.2Confident86.3Confident2 Ų254.3 Ų54.31%0.01229%0.288CS..EExtended strand (participates in β ladder)trans-156.7145.1-171.3-64.20000110.3Q2 Y4 L619 I631Q2-T629 PolarHBondContact N-OG1 2.82Å; Q2-T629 PolarHBondContact O-OG1 3.38Å; Y4-T629 HydrophobicContact CD1-CG2 3.26Å; Y4-T629 HydrophobicContact CE1-CG2 3.35Å; Y4-T629 HydrophobicContact CG-CG2 4.22Å; L619-T629 PolarHBondContact N-O 2.91Å; T629-I631 HydrophobicContact CG2-CG1 4.17Å
630E91.6Very high86.1Confident81 Ų8155.3 Ų55.338%0.37930%0.295SS..EExtended strand (participates in β ladder)trans-108.7126.8166.4-50.4-162.2147.500108.9Y4 K616 L618Y4-E630 WeakPolarHBondContact CE1-O 3.42Å; Y4-E630 VanDerWaalsContact CZ-O 3.28Å; Y4-E630 PolarHBondContact OH-O 3.14Å; K616-E630 IonicContact NZ-OE1 3.17Å; K616-E630 PolarHBondContact NZ-OE1 3.02Å; K616-E630 IonicContact NZ-OE2 3.34Å; K616-E630 PolarHBondContact NZ-OE2 3.11Å; L618-E630 HydrophobicContact CD2-CB 3.95Å; L618-E630 HydrophobicContact CD2-CG 3.57Å
631I90.8Very high86.1Confident1 Ų154.9 Ų54.91%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-105114.1-178.8-57.8166.6000108.3Y4 V6 K616 A617 L619 T629 L658 V670 W672Y4-I631 HydrophobicContact CD2-CG1 4.33Å; Y4-I631 HydrophobicContact CD2-CG2 4.38Å; Y4-I631 HydrophobicContact CE2-CB 4.31Å; Y4-I631 HydrophobicContact CE2-CG1 4.24Å; Y4-I631 HydrophobicContact CE2-CG2 3.96Å; V6-I631 HydrophobicContact CG2-CG2 3.7Å; K616-I631 WeakPolarHBondContact CA-O 3.32Å; K616-I631 VanDerWaalsContact CB-O 3.31Å; K616-I631 WeakPolarHBondContact CB-O 3.17Å; A617-I631 HydrophobicContact CB-CB 4.23Å; A617-I631 PolarHBondContact N-O 3.2Å; A617-I631 PolarHBondContact O-N 3.08Å; L619-I631 HydrophobicContact CD1-CD1 3.78Å; T629-I631 HydrophobicContact CG2-CG1 4.17Å; I631-L658 HydrophobicContact CD1-CD2 4.2Å; I631-V670 HydrophobicContact CD1-CG1 4.03Å; I631-V670 HydrophobicContact CD1-CG2 4.28Å; I631-W672 HydrophobicContact CD1-CH2 3.79Å; I631-W672 HydrophobicContact CD1-CZ3 4.27Å
632E90.4Very high86.3Confident145 Ų14550.9 Ų50.968%0.67828%0.278SS*.EExtended strand (participates in β ladder)trans-78.5139.3172.7-64.5-169.1166.700110.7Y4Y4-E632 PolarHBondContact OH-N 2.85Å
633Y87.6Confident86.6Confident14 Ų1451.7 Ų51.76%0.05528%0.281CS..PPolyproline II helixtrans-76.8128.2177-59.1-42.7000110.8F612 T613 K615 K616 A617 N635 Q636 D637 A639 Y660F612-Y633 HydrophobicContact CD1-CE1 4.13Å; F612-Y633 VanDerWaalsContact CD1-OH 3.31Å; F612-Y633 WeakPolarHBondContact CD1-OH 3.14Å; F612-Y633 HydrophobicContact CE1-CE1 4.42Å; T613-Y633 PolarHBondContact N-OH 2.82Å; T613-Y633 VanDerWaalsContact O-CE2 3.3Å; T613-Y633 WeakPolarHBondContact O-CE2 3.45Å; T613-Y633 PolarHBondContact O-OH 2.92Å; K615-Y633 VanDerWaalsContact O-CD2 3.23Å; K615-Y633 WeakPolarHBondContact O-CD2 3.19Å; K616-Y633 PolarHBondContact O-OH 2.88Å; K616-Y633 VanDerWaalsContact O-OH 3.04Å; A617-Y633 HydrophobicContact CB-CE1 4.04Å; A617-Y633 PolarHBondContact N-OH 2.81Å; Y633-N635 PolarHBondContact O-N 2.95Å; Y633-Q636 PolarHBondContact O-N 3.39Å; Y633-D637 WeakPolarHBondContact CB-O 3.49Å; Y633-A639 HydrophobicContact CE1-CB 4.4Å; Y633-Y660 HydrophobicContact CD1-CE2 4.19Å
634P80.6Confident87Confident32 Ų3249 Ų4921%0.20827%0.267CS..G310 helixtrans-56.9135.5169.9-22.334.9000109.6V6 Q636 D637 Y660 Y668V6-P634 HydrophobicContact CB-CG 4.17Å; V6-P634 HydrophobicContact CG1-CG 3.53Å; P634-Q636 PolarHBondContact O-N 2.68Å; P634-D637 PolarHBondContact O-N 2.99Å; P634-Y660 WeakPolarHBondContact CD-OH 3.31Å; P634-Y668 HydrophobicContact CB-CE1 3.77Å; P634-Y668 HydrophobicContact CG-CD1 3.96Å; P634-Y668 HydrophobicContact CG-CE1 3.54Å
635N73.7Confident87.3Confident115 Ų11544.8 Ų44.862%0.61524%0.239SC*.G310 helixtrans57.214.6179.8-57.5-22.4000115.6Y633 D637Y633-N635 PolarHBondContact O-N 2.95Å; N635-D637 PolarHBondContact O-N 2.86Å
636Q76.7Confident87.1Confident178 Ų17844 Ų4483%0.83224%0.238SC*.G310 helixtrans6319.8-176.3-51.9-178.1-6.100114.7Y633 P634 S638Y633-Q636 PolarHBondContact O-N 3.39Å; P634-Q636 PolarHBondContact O-N 2.68Å; Q636-S638 PolarHBondContact O-N 2.83Å
637D78.2Confident86.3Confident39 Ų3944.9 Ų44.921%0.20924%0.244CC..  trans-78.9107.9177.4-74.1-34.1000111Y633 P634 N635 T662Y633-D637 WeakPolarHBondContact CB-O 3.49Å; P634-D637 PolarHBondContact O-N 2.99Å; N635-D637 PolarHBondContact O-N 2.86Å; D637-T662 HydrophobicContact CB-CG2 3.97Å
638S84.8Confident85.3Confident24 Ų2447.8 Ų47.817%0.16826%0.26CS..  trans-62139.3179.163.70000112I614 Q636 V640I614-S638 WeakPolarHBondContact O-CB 3.36Å; Q636-S638 PolarHBondContact O-N 2.83Å; S638-V640 PolarHBondContact O-N 2.78Å
639A89Confident84Confident6 Ų651.4 Ų51.45%0.0528%0.279CS..EExtended strand (participates in β ladder)trans-63.4134.3170.500000111.2F612 Y633 Y660F612-A639 HydrophobicContact CD1-CB 3.38Å; F612-A639 HydrophobicContact CE1-CB 3.81Å; F612-A639 HydrophobicContact CG-CB 4.29Å; Y633-A639 HydrophobicContact CE1-CB 4.4Å; A639-Y660 HydrophobicContact CB-CD2 3.79Å; A639-Y660 HydrophobicContact CB-CG 4.18Å
640V88Confident82.6Confident21 Ų2152.4 Ų52.413%0.12729%0.288CS..EExtended strand (participates in β ladder)trans-91.5-43172.4174.20000110.3T330 P331 L332 S638 F661 K663T330-V640 WeakPolarHBondContact OG1-CG1 3.3Å; P331-V640 HydrophobicContact CG-CG1 3.88Å; P331-V640 HydrophobicContact CG-CG2 4.14Å; L332-V640 HydrophobicContact CB-CG1 4.12Å; L332-V640 HydrophobicContact CD1-CG1 4.44Å; L332-V640 HydrophobicContact CG-CG1 4.35Å; S638-V640 PolarHBondContact O-N 2.78Å; V640-F661 PolarHBondContact N-O 2.84Å; V640-K663 HydrophobicContact CG2-CB 4.24Å; V640-K663 HydrophobicContact CG2-CD 4.47Å; V640-K663 HydrophobicContact CG2-CG 3.32Å
641A90.2Very high81.1Confident4 Ų452.2 Ų52.23%0.03329%0.293CS..EExtended strand (participates in β ladder)trans-148.5154.3-179.100000109.5L332 L336 Y660 F661L332-A641 HydrophobicContact CD1-CB 4.03Å; L336-A641 HydrophobicContact CD1-CB 4.19Å; L336-A641 HydrophobicContact CG-CB 3.71Å; A641-Y660 CarbonylContact O-C 3.42Å; A641-Y660 VanDerWaalsContact O-CA 3.3Å; A641-Y660 WeakPolarHBondContact O-CA 3.35Å; A641-F661 PolarHBondContact O-N 3.13Å
642S93.6Very high79.7Confident13 Ų1356.8 Ų56.89%0.09133%0.325CS..EExtended strand (participates in β ladder)trans-148.8148.3-171.855.60000111.7F612 Y659F612-S642 WeakPolarHBondContact CD2-OG 3.23Å; F612-S642 VanDerWaalsContact CE2-OG 3.24Å; F612-S642 WeakPolarHBondContact CE2-OG 3.43Å; S642-Y659 CarbonylContact C-O 3.57Å; S642-Y659 VanDerWaalsContact CA-O 3.27Å; S642-Y659 WeakPolarHBondContact CA-O 3.47Å
643I93.2Very high78.5Confident24 Ų2458.2 Ų58.212%0.12333%0.331CS..EExtended strand (participates in β ladder)trans-152142.2178.8-170.5163.9000111.2L336 L338 L352 V645 Y659L336-I643 HydrophobicContact CB-CB 4.17Å; L336-I643 HydrophobicContact CB-CG2 4.02Å; L336-I643 HydrophobicContact CD1-CG2 3.98Å; L338-I643 HydrophobicContact CB-CD1 3.75Å; L338-I643 VanDerWaalsContact N-CD1 3.3Å; L352-I643 HydrophobicContact CD1-CG2 4.45Å; L352-I643 HydrophobicContact CD2-CD1 4.49Å; L352-I643 HydrophobicContact CD2-CG2 4Å; I643-V645 HydrophobicContact CG2-CG2 4.2Å; I643-Y659 PolarHBondContact N-O 2.93Å; I643-Y659 PolarHBondContact O-N 3.27Å
644F91.8Very high77.8Confident10 Ų1064.7 Ų64.74%0.04436%0.355CS..EExtended strand (participates in β ladder)trans-86.5130.4165-81.8-75.8000109.8C601 D603 A610 L658 W672C601-F644 HydrophobicContact CB-CD2 4.1Å; C601-F644 HydrophobicContact CB-CE2 4.46Å; C601-F644 VanDerWaalsContact SG-CD2 3.54Å; C601-F644 VanDerWaalsContact SG-CE2 3.51Å; D603-F644 HydrophobicContact CB-CD1 4.06Å; D603-F644 HydrophobicContact CB-CD2 3.96Å; D603-F644 HydrophobicContact CB-CE1 4.15Å; D603-F644 HydrophobicContact CB-CE2 4.07Å; D603-F644 HydrophobicContact CB-CG 3.95Å; D603-F644 HydrophobicContact CB-CZ 4.16Å; A610-F644 HydrophobicContact CB-CE2 3.75Å; A610-F644 HydrophobicContact CB-CZ 3.83Å; F644-L658 HydrophobicContact CD1-CB 3.96Å; F644-L658 HydrophobicContact CD1-CD1 4.15Å; F644-L658 HydrophobicContact CD2-CD1 4.16Å; F644-L658 HydrophobicContact CE1-CB 3.66Å; F644-L658 HydrophobicContact CE1-CD1 4.04Å; F644-L658 HydrophobicContact CE1-CG 4.3Å; F644-L658 HydrophobicContact CE2-CD1 4.03Å; F644-L658 HydrophobicContact CG-CD1 4.23Å; F644-L658 HydrophobicContact CZ-CB 4.26Å; F644-L658 HydrophobicContact CZ-CD1 3.97Å; F644-L658 HydrophobicContact CZ-CD2 4.34Å; F644-L658 HydrophobicContact CZ-CG 4.43Å; F644-W672 HydrophobicContact CE1-CZ2 4.41Å
645V89.3Confident77.7Confident6 Ų663.7 Ų63.74%0.03635%0.348CS..EExtended strand (participates in β ladder)trans-113.9114.5175.7-179.20000108.3L338 P350 L352 L366 I643 T657 Y659L338-V645 HydrophobicContact CD1-CG1 4.23Å; L338-V645 HydrophobicContact CD1-CG2 4.36Å; P350-V645 HydrophobicContact CB-CG1 3.99Å; P350-V645 HydrophobicContact CG-CG1 3.52Å; L352-V645 HydrophobicContact CD2-CG2 4.27Å; L366-V645 HydrophobicContact CD1-CG2 4.23Å; I643-V645 HydrophobicContact CG2-CG2 4.2Å; V645-T657 PolarHBondContact N-O 3.14Å; V645-T657 PolarHBondContact O-N 2.91Å; V645-Y659 HydrophobicContact CB-CD2 3.85Å; V645-Y659 HydrophobicContact CB-CE2 3.72Å; V645-Y659 HydrophobicContact CG1-CE2 4.44Å; V645-Y659 HydrophobicContact CG2-CD2 3.49Å; V645-Y659 VanDerWaalsContact CG2-CD2 3.49Å; V645-Y659 HydrophobicContact CG2-CE2 3.79Å; V645-Y659 HydrophobicContact CG2-CG 4.49Å
646P84.2Confident78.3Confident50 Ų5058.2 Ų58.233%0.32532%0.319SS..  trans-58.6135.9174.4-2635.8000111.6P604 I605P604-P646 HydrophobicContact CG-CG 3.8Å; I605-P646 HydrophobicContact CD1-CB 3.83Å; I605-P646 HydrophobicContact CD1-CG 4.39Å
647S73.7Confident78.9Confident64 Ų6450.6 Ų50.645%0.44829%0.285SS..  trans-79.6154.9164.3-174.90000109.8D649 A650S647-D649 PolarHBondContact O-N 2.79Å; S647-A650 VanDerWaalsContact O-CB 3.23Å; S647-A650 WeakPolarHBondContact O-CB 3.25Å; S647-A650 PolarHBondContact O-N 2.94Å; S647-A650 VanDerWaalsContact O-N 3.08Å
648V66.2Low79.6Confident128 Ų12848.8 Ų48.878%0.77628%0.275SS*.THydrogen-bonded Turntrans-57.7-31.1174.5-1740000111.2
649D61Low80Confident122 Ų12248.5 Ų48.565%0.65227%0.271SS*.THydrogen-bonded Turntrans-100.817.5-179.9-54.2-38000113.4S647 T651S647-D649 PolarHBondContact O-N 2.79Å; D649-T651 PolarHBondContact O-N 2.82Å
650A59.1Low80.2Confident24 Ų2448.3 Ų48.320%0.19827%0.268CS..  trans-70118.9-175.900000111.1I605 S647I605-A650 HydrophobicContact CD1-CB 3.27Å; S647-A650 VanDerWaalsContact O-CB 3.23Å; S647-A650 WeakPolarHBondContact O-CB 3.25Å; S647-A650 PolarHBondContact O-N 2.94Å; S647-A650 VanDerWaalsContact O-N 3.08Å
651T60.8Low80.3Confident77 Ų7747.3 Ų47.347%0.47226%0.262SS..  trans-105.8166.4172.660.50000109.7D649 E653 R654D649-T651 PolarHBondContact O-N 2.82Å; T651-E653 PolarHBondContact O-N 3.48Å; T651-R654 PolarHBondContact O-N 3.47Å
652S62.3Low80.2Confident97 Ų9747.1 Ų47.168%0.67826%0.261SS*.THydrogen-bonded Turntrans-57.4-20.6175.255.10000114
653E64.5Low79.6Confident174 Ų17451.4 Ų51.481%0.81328%0.278SS*.THydrogen-bonded Turntrans-85.9-20.2177.6-63.2-173167.100113T651T651-E653 PolarHBondContact O-N 3.48Å
654R72Confident78.9Confident150 Ų15051.9 Ų51.957%0.56628%0.281SS*.SBendtrans-114.1118.4-174.9-159.9173.6-170.9172.93.2110.6T651T651-R654 PolarHBondContact O-N 3.47Å
655L79.5Confident78.7Confident11 Ų1152 Ų526%0.05828%0.281CS..PPolyproline II helixtrans-57.2138.2178.6-82.5175.5000112.1D603 S606 I608 L619 W672D603-L655 WeakPolarHBondContact OD2-CD2 3.3Å; S606-L655 WeakPolarHBondContact OG-CD2 3.39Å; I608-L655 HydrophobicContact CB-CD2 3.88Å; I608-L655 HydrophobicContact CD1-CD2 3.4Å; I608-L655 VanDerWaalsContact CD1-CD2 3.4Å; I608-L655 HydrophobicContact CD1-CG 4.16Å; I608-L655 HydrophobicContact CG1-CD2 4.15Å; I608-L655 HydrophobicContact CG2-CD2 4.11Å; L619-L655 HydrophobicContact CD2-CD1 3.85Å; L655-W672 HydrophobicContact CB-CD2 4.24Å; L655-W672 HydrophobicContact CB-CG 3.83Å; L655-W672 HydrophobicContact CD1-CD2 3.59Å; L655-W672 HydrophobicContact CD1-CE3 3.91Å; L655-W672 HydrophobicContact CD1-CG 3.92Å; L655-W672 HydrophobicContact CD1-CH2 4.34Å; L655-W672 HydrophobicContact CD1-CZ2 4.07Å; L655-W672 HydrophobicContact CD1-CZ3 4.28Å
656S86.7Confident78.6Confident0 Ų051.9 Ų51.90%028%0.281CS..PPolyproline II helixtrans-58.7152.5164.7-65.30000110.2D603 L658 W672D603-S656 WeakPolarHBondContact OD1-CB 3.23Å; D603-S656 PolarHBondContact OD1-OG 2.89Å; D603-S656 PolarHBondContact OD2-N 2.99Å; S656-L658 PolarHBondContact O-N 3.02Å; S656-W672 PolarHBondContact O-NE1 3.08Å
657T89.2Confident78.8Confident19 Ų1949.5 Ų49.512%0.11727%0.265CS..EExtended strand (participates in β ladder)trans-73.2125.8179.4-59.20000109V645 Y659 R669V645-T657 PolarHBondContact N-O 3.14Å; V645-T657 PolarHBondContact O-N 2.91Å; T657-Y659 HydrophobicContact CG2-CD2 4.01Å; T657-Y659 HydrophobicContact CG2-CE1 4.36Å; T657-Y659 HydrophobicContact CG2-CE2 3.33Å; T657-R669 HydrophobicContact CG2-CG 3.39Å; T657-R669 VanDerWaalsContact CG2-NE 3.33Å
658L92.6Very high79.7Confident0 Ų046.6 Ų46.60%025%0.245CC..EExtended strand (participates in β ladder)trans-89126177.3177.662000109.6C601 A610 F612 L619 I631 F644 S656 V670 W672C601-L658 VanDerWaalsContact SG-CD1 3.59Å; A610-L658 HydrophobicContact CB-CD1 4.29Å; A610-L658 HydrophobicContact CB-CD2 3.83Å; F612-L658 HydrophobicContact CE2-CD1 4.37Å; F612-L658 HydrophobicContact CZ-CD1 4.04Å; F612-L658 HydrophobicContact CZ-CD2 3.97Å; F612-L658 HydrophobicContact CZ-CG 4.28Å; L619-L658 HydrophobicContact CD1-CD2 4.2Å; I631-L658 HydrophobicContact CD1-CD2 4.2Å; F644-L658 HydrophobicContact CD1-CB 3.96Å; F644-L658 HydrophobicContact CD1-CD1 4.15Å; F644-L658 HydrophobicContact CD2-CD1 4.16Å; F644-L658 HydrophobicContact CE1-CB 3.66Å; F644-L658 HydrophobicContact CE1-CD1 4.04Å; F644-L658 HydrophobicContact CE1-CG 4.3Å; F644-L658 HydrophobicContact CE2-CD1 4.03Å; F644-L658 HydrophobicContact CG-CD1 4.23Å; F644-L658 HydrophobicContact CZ-CB 4.26Å; F644-L658 HydrophobicContact CZ-CD1 3.97Å; F644-L658 HydrophobicContact CZ-CD2 4.34Å; F644-L658 HydrophobicContact CZ-CG 4.43Å; S656-L658 PolarHBondContact O-N 3.02Å; L658-V670 HydrophobicContact CB-CB 4.12Å; L658-V670 HydrophobicContact CB-CG2 4.33Å; L658-V670 HydrophobicContact CD2-CG2 4.23Å; L658-V670 HydrophobicContact CG-CG2 4.35Å; L658-V670 PolarHBondContact O-N 3.23Å; L658-W672 HydrophobicContact CB-CZ2 3.93Å; L658-W672 HydrophobicContact CD2-CZ2 4.34Å
659Y92.9Very high80.9Confident19 Ų1944.3 Ų44.38%0.07522%0.222CC..EExtended strand (participates in β ladder)trans-112.2141.9172.4-67.2-89.1000110.2I9 L366 S642 I643 V645 T657 M667 Y668 R669I9-Y659 HydrophobicContact CD1-CD1 3.9Å; I9-Y659 HydrophobicContact CD1-CE1 3.44Å; I9-Y659 VanDerWaalsContact CD1-CE1 3.44Å; I9-Y659 HydrophobicContact CG1-CE1 4.26Å; L366-Y659 HydrophobicContact CD1-CD1 4.44Å; L366-Y659 HydrophobicContact CD1-CD2 4.3Å; L366-Y659 HydrophobicContact CD1-CE1 4.16Å; L366-Y659 HydrophobicContact CD1-CE2 4Å; L366-Y659 HydrophobicContact CD1-CG 4.49Å; L366-Y659 HydrophobicContact CD2-CD1 4.06Å; L366-Y659 HydrophobicContact CD2-CE1 3.97Å; S642-Y659 CarbonylContact C-O 3.57Å; S642-Y659 VanDerWaalsContact CA-O 3.27Å; S642-Y659 WeakPolarHBondContact CA-O 3.47Å; I643-Y659 PolarHBondContact N-O 2.93Å; I643-Y659 PolarHBondContact O-N 3.27Å; V645-Y659 HydrophobicContact CB-CD2 3.85Å; V645-Y659 HydrophobicContact CB-CE2 3.72Å; V645-Y659 HydrophobicContact CG1-CE2 4.44Å; V645-Y659 HydrophobicContact CG2-CD2 3.49Å; V645-Y659 VanDerWaalsContact CG2-CD2 3.49Å; V645-Y659 HydrophobicContact CG2-CE2 3.79Å; V645-Y659 HydrophobicContact CG2-CG 4.49Å; T657-Y659 HydrophobicContact CG2-CD2 4.01Å; T657-Y659 HydrophobicContact CG2-CE1 4.36Å; T657-Y659 HydrophobicContact CG2-CE2 3.33Å; Y659-M667 HydrophobicContact CD1-CG 4.42Å; Y659-Y668 VanDerWaalsContact CA-O 3.27Å; Y659-Y668 WeakPolarHBondContact CA-O 3.3Å; Y659-R669 HydrophobicContact CD1-CB 4.05Å; Y659-R669 HydrophobicContact CD1-CG 4.28Å; Y659-R669 HydrophobicContact CE1-CB 3.71Å; Y659-R669 HydrophobicContact CE1-CG 3.64Å
660Y92.9Very high82.3Confident1 Ų138.5 Ų38.50%0.00419%0.191CC..EExtended strand (participates in β ladder)trans-142.4147.8169.168.6-89.3000111.4V6 F612 Y633 P634 A639 A641 T662 Y668 V670V6-Y660 HydrophobicContact CG1-CE1 4.15Å; V6-Y660 WeakPolarHBondContact CG1-OH 3.43Å; F612-Y660 HydrophobicContact CE1-CD1 4.25Å; F612-Y660 HydrophobicContact CE1-CG 4.04Å; Y633-Y660 HydrophobicContact CD1-CE2 4.19Å; P634-Y660 WeakPolarHBondContact CD-OH 3.31Å; A639-Y660 HydrophobicContact CB-CD2 3.79Å; A639-Y660 HydrophobicContact CB-CG 4.18Å; A641-Y660 CarbonylContact O-C 3.42Å; A641-Y660 VanDerWaalsContact O-CA 3.3Å; A641-Y660 WeakPolarHBondContact O-CA 3.35Å; Y660-T662 HydrophobicContact CD2-CG2 4.12Å; Y660-T662 HydrophobicContact CE2-CG2 3.94Å; Y660-Y668 HydrophobicContact CD2-CD2 4.23Å; Y660-Y668 VanDerWaalsContact CE1-CB 3.4Å; Y660-Y668 HydrophobicContact CE1-CG 4.21Å; Y660-Y668 AromaticContact CE2-CD2 3.54Å; Y660-Y668 HydrophobicContact CE2-CD2 3.54Å; Y660-Y668 HydrophobicContact CE2-CE2 4.4Å; Y660-Y668 AromaticContact CE2-CG 3.75Å; Y660-Y668 HydrophobicContact CE2-CG 3.75Å; Y660-Y668 AromaticContact CZ-CD2 3.87Å; Y660-Y668 AromaticContact CZ-CG 3.56Å; Y660-Y668 PolarHBondContact N-O 3.44Å; Y660-Y668 PolarHBondContact O-N 3.38Å; Y660-V670 HydrophobicContact CD1-CG2 4.24Å; Y660-V670 HydrophobicContact CE1-CG2 3.94Å
661F91.2Very high83.3Confident0 Ų038.6 Ų38.60%019%0.187CC..EExtended strand (participates in β ladder)trans-111.4139.7-177.7-171.3-99.9000110.4I315 L317 L332 L336 V640 A641 Q665 C666 M667I315-F661 HydrophobicContact CD1-CE2 3.81Å; I315-F661 HydrophobicContact CG2-CE2 4.22Å; I315-F661 HydrophobicContact CG2-CZ 4.01Å; L317-F661 HydrophobicContact CD1-CE1 3.68Å; L317-F661 HydrophobicContact CD1-CZ 3.89Å; L317-F661 HydrophobicContact CD2-CE1 4.27Å; L317-F661 HydrophobicContact CD2-CZ 4.24Å; L317-F661 HydrophobicContact CG-CZ 4.41Å; L332-F661 HydrophobicContact CD1-CB 4.29Å; L332-F661 HydrophobicContact CD1-CD1 3.38Å; L332-F661 HydrophobicContact CD1-CE1 3.85Å; L332-F661 HydrophobicContact CD1-CG 4.04Å; L332-F661 HydrophobicContact CG-CD1 4.28Å; L332-F661 HydrophobicContact CG-CE1 4.38Å; L336-F661 HydrophobicContact CD1-CB 4.17Å; L336-F661 HydrophobicContact CD2-CB 4.44Å; V640-F661 PolarHBondContact N-O 2.84Å; A641-F661 PolarHBondContact O-N 3.13Å; F661-Q665 VanDerWaalsContact CZ-CA 3.45Å; F661-Q665 HydrophobicContact CZ-CB 4.02Å; F661-Q665 HydrophobicContact CZ-CG 4.5Å; F661-C666 WeakPolarHBondContact CA-O 3.39Å; F661-C666 WeakPolarHBondContact CD2-O 3.29Å; F661-M667 HydrophobicContact CB-CE 4.47Å; F661-M667 HydrophobicContact CB-SD 4.28Å; F661-M667 HydrophobicContact CD2-CB 4.45Å; F661-M667 HydrophobicContact CD2-CE 3.74Å; F661-M667 HydrophobicContact CD2-SD 4.19Å; F661-M667 HydrophobicContact CE2-CE 4.46Å
662T88.4Confident84.4Confident0 Ų035.9 Ų35.90%017%0.169CC..EExtended strand (participates in β ladder)trans-107.7166.2-177.871.60000112.7D637 Y660 D664 Q665 C666 Y668D637-T662 HydrophobicContact CB-CG2 3.97Å; Y660-T662 HydrophobicContact CD2-CG2 4.12Å; Y660-T662 HydrophobicContact CE2-CG2 3.94Å; T662-D664 PolarHBondContact O-N 3.35Å; T662-D664 VanDerWaalsContact O-N 3.16Å; T662-D664 PolarHBondContact OG1-N 3.11Å; T662-Q665 PolarHBondContact O-N 3.28Å; T662-Q665 VanDerWaalsContact O-N 3.09Å; T662-C666 PolarHBondContact N-O 2.7Å; T662-C666 PolarHBondContact OG1-N 3.48Å; T662-Y668 HydrophobicContact CG2-CD2 3.71Å; T662-Y668 HydrophobicContact CG2-CE2 3.61Å
663K79.8Confident84.8Confident103 Ų10335.6 Ų35.645%0.44816%0.159SC..THydrogen-bonded Turntrans-60.1-24.1175.2-67.7-172.9176.3-177.40113.1R13 V640 Q665R13-K663 PolarHBondContact NH2-O 3.26Å; V640-K663 HydrophobicContact CG2-CB 4.24Å; V640-K663 HydrophobicContact CG2-CD 4.47Å; V640-K663 HydrophobicContact CG2-CG 3.32Å; K663-Q665 PolarHBondContact O-N 2.98Å
664D79.5Confident84.6Confident35 Ų3529 Ų2919%0.18713%0.131CC..THydrogen-bonded Turntrans-85.311.9179-86.7-6.7000114.2R13 R16 T662 C666R13-D664 IonicContact CZ-OD1 3.76Å; R13-D664 IonicContact NH1-OD1 3.63Å; R13-D664 PolarHBondContact NH1-OD1 3.44Å; R13-D664 IonicContact NH2-OD1 3.48Å; R16-D664 IonicContact CZ-OD2 2.69Å; R16-D664 IonicContact NH2-OD1 3.48Å; R16-D664 PolarHBondContact NH2-OD1 2.78Å; R16-D664 IonicContact NH2-OD2 3.01Å; R16-D664 PolarHBondContact NH2-OD2 3.34Å; T662-D664 PolarHBondContact O-N 3.35Å; T662-D664 VanDerWaalsContact O-N 3.16Å; T662-D664 PolarHBondContact OG1-N 3.11Å; D664-C666 VanDerWaalsContact C-N 3.29Å
665Q86.2Confident83.5Confident12 Ų1228 Ų286%0.05614%0.137CC..SBendtrans66.727.2177.9-46.2-174.3-24.800114G11 N12 R13 N297 I315 L317 F661 T662 K663G11-Q665 CarbonylContact C-O 3.53Å; G11-Q665 WeakPolarHBondContact CA-O 3.35Å; N12-Q665 PolarHBondContact N-O 2.61Å; R13-Q665 HydrophobicContact CG-CB 4.28Å; R13-Q665 HydrophobicContact CG-CG 4.08Å; N297-Q665 VanDerWaalsContact CG-OE1 3.31Å; N297-Q665 PolarHBondContact ND2-OE1 3.36Å; I315-Q665 PolarHBondContact O-OE1 3.45Å; L317-Q665 HydrophobicContact CD1-CB 4.49Å; L317-Q665 HydrophobicContact CD1-CG 3.57Å; L317-Q665 HydrophobicContact CG-CG 4.18Å; F661-Q665 VanDerWaalsContact CZ-CA 3.45Å; F661-Q665 HydrophobicContact CZ-CB 4.02Å; F661-Q665 HydrophobicContact CZ-CG 4.5Å; T662-Q665 PolarHBondContact O-N 3.28Å; T662-Q665 VanDerWaalsContact O-N 3.09Å; K663-Q665 PolarHBondContact O-N 2.98Å
666C87.2Confident81.8Confident4 Ų435.9 Ų35.93%0.02717%0.173CC..  trans-98133.9177.1-58.60000110F661 T662 D664 Y668F661-C666 WeakPolarHBondContact CA-O 3.39Å; F661-C666 WeakPolarHBondContact CD2-O 3.29Å; T662-C666 PolarHBondContact N-O 2.7Å; T662-C666 PolarHBondContact OG1-N 3.48Å; D664-C666 VanDerWaalsContact C-N 3.29Å; C666-Y668 HydrophobicContact CB-CD2 4.09Å; C666-Y668 HydrophobicContact CB-CE2 3.51Å
667M90Very high79.6Confident0 Ų042.9 Ų42.90%021%0.206CC..EExtended strand (participates in β ladder)trans-98.1114.2170.5-16969.772.300109I9 G10 L352 F354 Y364 L366 Y659 F661I9-M667 HydrophobicContact CD1-CG 3.97Å; I9-M667 HydrophobicContact CG1-CB 4.35Å; I9-M667 HydrophobicContact CG1-CG 4.11Å; I9-M667 WeakPolarHBondContact CG1-O 3.38Å; I9-M667 PolarHBondContact N-O 3.43Å; G10-M667 PolarHBondContact N-O 3.18Å; G10-M667 WeakPolarHBondContact O-CA 3.35Å; G10-M667 WeakPolarHBondContact O-CB 3.45Å; G10-M667 PolarHBondContact O-N 3.48Å; L352-M667 HydrophobicContact CD1-CE 3.75Å; L352-M667 HydrophobicContact CD1-SD 4.16Å; F354-M667 HydrophobicContact CE1-CE 4.22Å; Y364-M667 HydrophobicContact CD1-CE 4.5Å; Y364-M667 HydrophobicContact CE1-CE 4.47Å; L366-M667 HydrophobicContact CD2-CG 4.26Å; Y659-M667 HydrophobicContact CD1-CG 4.42Å; F661-M667 HydrophobicContact CB-CE 4.47Å; F661-M667 HydrophobicContact CB-SD 4.28Å; F661-M667 HydrophobicContact CD2-CB 4.45Å; F661-M667 HydrophobicContact CD2-CE 3.74Å; F661-M667 HydrophobicContact CD2-SD 4.19Å; F661-M667 HydrophobicContact CE2-CE 4.46Å
668Y91.3Very high77.3Confident3 Ų349.3 Ų49.31%0.01224%0.235CC..EExtended strand (participates in β ladder)trans-100.9143.1175.8-72.3-87.8000111V6 R7 C8 R33 P634 Y659 Y660 T662 C666V6-Y668 HydrophobicContact CG1-CD1 3.84Å; V6-Y668 HydrophobicContact CG1-CG 4.42Å; R7-Y668 CarbonylContact O-C 3.57Å; R7-Y668 WeakPolarHBondContact O-CA 3.49Å; C8-Y668 HydrophobicContact CB-CD1 3.93Å; C8-Y668 HydrophobicContact CB-CE1 3.66Å; R33-Y668 PolarHBondContact NH2-OH 3.22Å; P634-Y668 HydrophobicContact CB-CE1 3.77Å; P634-Y668 HydrophobicContact CG-CD1 3.96Å; P634-Y668 HydrophobicContact CG-CE1 3.54Å; Y659-Y668 VanDerWaalsContact CA-O 3.27Å; Y659-Y668 WeakPolarHBondContact CA-O 3.3Å; Y660-Y668 HydrophobicContact CD2-CD2 4.23Å; Y660-Y668 VanDerWaalsContact CE1-CB 3.4Å; Y660-Y668 HydrophobicContact CE1-CG 4.21Å; Y660-Y668 AromaticContact CE2-CD2 3.54Å; Y660-Y668 HydrophobicContact CE2-CD2 3.54Å; Y660-Y668 HydrophobicContact CE2-CE2 4.4Å; Y660-Y668 AromaticContact CE2-CG 3.75Å; Y660-Y668 HydrophobicContact CE2-CG 3.75Å; Y660-Y668 AromaticContact CZ-CD2 3.87Å; Y660-Y668 AromaticContact CZ-CG 3.56Å; Y660-Y668 PolarHBondContact N-O 3.44Å; Y660-Y668 PolarHBondContact O-N 3.38Å; T662-Y668 HydrophobicContact CG2-CD2 3.71Å; T662-Y668 HydrophobicContact CG2-CE2 3.61Å; C666-Y668 HydrophobicContact CB-CD2 4.09Å; C666-Y668 HydrophobicContact CB-CE2 3.51Å
669R91Very high74.9Confident79 Ų7953.1 Ų53.130%0.29825%0.252SS..EExtended strand (participates in β ladder)trans-113.9131.7172.4-175.7-174.3-179.5-174.28.3108.4R7 I9 T657 Y659 E671R7-R669 PolarHBondContact N-O 2.96Å; R7-R669 PolarHBondContact O-N 2.91Å; I9-R669 HydrophobicContact CB-CB 4.41Å; I9-R669 HydrophobicContact CG1-CB 4.1Å; I9-R669 HydrophobicContact CG2-CB 3.46Å; I9-R669 VanDerWaalsContact CG2-CB 3.46Å; I9-R669 HydrophobicContact CG2-CG 4.3Å; T657-R669 HydrophobicContact CG2-CG 3.39Å; T657-R669 VanDerWaalsContact CG2-NE 3.33Å; Y659-R669 HydrophobicContact CD1-CB 4.05Å; Y659-R669 HydrophobicContact CD1-CG 4.28Å; Y659-R669 HydrophobicContact CE1-CB 3.71Å; Y659-R669 HydrophobicContact CE1-CG 3.64Å; R669-E671 WeakPolarHBondContact CD-OE1 3.34Å; R669-E671 HydrophobicContact CG-CG 4.03Å; R669-E671 IonicContact CZ-OE1 3.78Å; R669-E671 IonicContact NE-OE1 3.6Å; R669-E671 PolarHBondContact NE-OE1 3.02Å; R669-E671 IonicContact NH1-OE1 3.77Å; R669-E671 PolarHBondContact NH1-OE1 2.87Å; R669-E671 IonicContact NH2-OE1 3.81Å
670V90.4Very high72.1Confident0 Ų056.9 Ų56.90%027%0.274CS..EExtended strand (participates in β ladder)trans-100.4115.6168.5-170.60000107.8Y4 N5 V6 I631 L658 Y660 W672Y4-V670 HydrophobicContact CD2-CG1 4.39Å; N5-V670 WeakPolarHBondContact O-CA 3.35Å; V6-V670 HydrophobicContact CG2-CG2 4.44Å; I631-V670 HydrophobicContact CD1-CG1 4.03Å; I631-V670 HydrophobicContact CD1-CG2 4.28Å; L658-V670 HydrophobicContact CB-CB 4.12Å; L658-V670 HydrophobicContact CB-CG2 4.33Å; L658-V670 HydrophobicContact CD2-CG2 4.23Å; L658-V670 HydrophobicContact CG-CG2 4.35Å; L658-V670 PolarHBondContact O-N 3.23Å; Y660-V670 HydrophobicContact CD1-CG2 4.24Å; Y660-V670 HydrophobicContact CE1-CG2 3.94Å; V670-W672 HydrophobicContact CB-CH2 4.42Å; V670-W672 HydrophobicContact CB-CZ2 4.24Å; V670-W672 HydrophobicContact CG1-CD2 4.34Å; V670-W672 HydrophobicContact CG1-CE3 4.12Å; V670-W672 HydrophobicContact CG1-CH2 3.66Å; V670-W672 HydrophobicContact CG1-CZ2 3.88Å; V670-W672 HydrophobicContact CG1-CZ3 3.78Å
671E81.7Confident69.9Low27 Ų2763.8 Ų63.813%0.12630%0.301CS..EExtended strand (participates in β ladder)trans-98.4138.4175.5-66177.6169.200109.3Y4 N5 R7 R669 V674Y4-E671 CarbonylContact C-O 3.59Å; Y4-E671 VanDerWaalsContact CA-O 3.25Å; Y4-E671 WeakPolarHBondContact CA-O 3.45Å; N5-E671 PolarHBondContact N-O 3.28Å; N5-E671 PolarHBondContact O-N 3.08Å; R7-E671 IonicContact CZ-OE2 2.68Å; R7-E671 IonicContact NE-OE2 2.95Å; R7-E671 IonicContact NH1-OE2 2.74Å; R7-E671 PolarHBondContact NH1-OE2 3.48Å; R669-E671 WeakPolarHBondContact CD-OE1 3.34Å; R669-E671 HydrophobicContact CG-CG 4.03Å; R669-E671 IonicContact CZ-OE1 3.78Å; R669-E671 IonicContact NE-OE1 3.6Å; R669-E671 PolarHBondContact NE-OE1 3.02Å; R669-E671 IonicContact NH1-OE1 3.77Å; R669-E671 PolarHBondContact NH1-OE1 2.87Å; R669-E671 IonicContact NH2-OE1 3.81Å; E671-V674 HydrophobicContact CB-CG2 3.66Å
672W82.7Confident67.5Low20 Ų2071.3 Ų71.38%0.07633%0.33CS..EExtended strand (participates in β ladder)trans-107.6149.2-175.1-47.3108.9000110.9L619 I631 F644 L655 S656 L658 V670 V674L619-W672 HydrophobicContact CD1-CH2 3.63Å; L619-W672 HydrophobicContact CD1-CZ2 4.33Å; L619-W672 HydrophobicContact CD2-CH2 3.35Å; L619-W672 HydrophobicContact CD2-CZ2 3.94Å; L619-W672 HydrophobicContact CD2-CZ3 3.81Å; L619-W672 HydrophobicContact CG-CH2 4.13Å; I631-W672 HydrophobicContact CD1-CH2 3.79Å; I631-W672 HydrophobicContact CD1-CZ3 4.27Å; F644-W672 HydrophobicContact CE1-CZ2 4.41Å; L655-W672 HydrophobicContact CB-CD2 4.24Å; L655-W672 HydrophobicContact CB-CG 3.83Å; L655-W672 HydrophobicContact CD1-CD2 3.59Å; L655-W672 HydrophobicContact CD1-CE3 3.91Å; L655-W672 HydrophobicContact CD1-CG 3.92Å; L655-W672 HydrophobicContact CD1-CH2 4.34Å; L655-W672 HydrophobicContact CD1-CZ2 4.07Å; L655-W672 HydrophobicContact CD1-CZ3 4.28Å; S656-W672 PolarHBondContact O-NE1 3.08Å; L658-W672 HydrophobicContact CB-CZ2 3.93Å; L658-W672 HydrophobicContact CD2-CZ2 4.34Å; V670-W672 HydrophobicContact CB-CH2 4.42Å; V670-W672 HydrophobicContact CB-CZ2 4.24Å; V670-W672 HydrophobicContact CG1-CD2 4.34Å; V670-W672 HydrophobicContact CG1-CE3 4.12Å; V670-W672 HydrophobicContact CG1-CH2 3.66Å; V670-W672 HydrophobicContact CG1-CZ2 3.88Å; V670-W672 HydrophobicContact CG1-CZ3 3.78Å; W672-V674 PolarHBondContact O-N 2.76Å
673D71.9Confident65.7Low90 Ų9076.1 Ų76.148%0.48135%0.352SS..SBendtrans56.735.2173.1-55.7-42.8000113.2Q2 R3Q2-D673 PolarHBondContact NE2-OD2 3.44Å; R3-D673 PolarHBondContact O-N 3Å
674V60.4Low64.8Low37 Ų3774.8 Ų74.822%0.22435%0.35CS..  trans-82.6120.4174.9-168.70000107.6E671 W672E671-V674 HydrophobicContact CB-CG2 3.66Å; W672-V674 PolarHBondContact O-N 2.76Å
675D49.1Very low63.8Low128 Ų12874.3 Ų74.368%0.68435%0.35SS*.  trans-57.6138.1161.5-78.2-38.8000107.4E677D675-E677 PolarHBondContact O-N 2.87Å
676Q43.9Very low63Low176 Ų17676.4 Ų76.482%0.82236%0.364SS*.  trans-6285174.8-80.5-172.9-23.100108.6E678Q676-E678 VanDerWaalsContact C-N 3.26Å; Q676-E678 PolarHBondContact O-N 2.81Å; Q676-E678 VanDerWaalsContact O-N 3.11Å
677E40.2Very low62.1Low148 Ų14879.6 Ų79.669%0.69238%0.38SS*.  trans-59.8108.4139.8-73.4-173.916400103.6D675 E679D675-E677 PolarHBondContact O-N 2.87Å; E677-E679 PolarHBondContact O-N 3.38Å
678E39.8Very low61.1Low154 Ų15484.2 Ų84.272%0.7240%0.4SS*.  trans-48.8100.5148-76.3-179.4159.700104.2Q676 N680Q676-E678 VanDerWaalsContact C-N 3.26Å; Q676-E678 PolarHBondContact O-N 2.81Å; Q676-E678 VanDerWaalsContact O-N 3.11Å; E678-N680 PolarHBondContact O-N 3.34Å
679E42Very low58.8Low79 Ų7993.6 Ų93.637%0.36944%0.444SS..  trans-52.991.7145.7-91179.8-175.600102.8R7 E677 Y681R7-E679 IonicContact CZ-OE1 2.84Å; R7-E679 IonicContact NE-OE1 2.72Å; R7-E679 PolarHBondContact NE-OE1 3.06Å; R7-E679 IonicContact NH2-OE1 2.65Å; R7-E679 PolarHBondContact NH2-OE1 3Å; E677-E679 PolarHBondContact O-N 3.38Å; E679-Y681 HydrophobicContact CB-CD2 4.4Å; E679-Y681 HydrophobicContact CB-CE2 4.21Å; E679-Y681 WeakPolarHBondContact O-CD2 3.47Å; E679-Y681 PolarHBondContact O-N 3.46Å
680N35.3Very low56.2Low99 Ų9993.8 Ų93.853%0.52945%0.454SS..  trans-55.8100.5158.9-84.2-54000101.4E678 R682E678-N680 PolarHBondContact O-N 3.34Å; N680-R682 HydrophobicContact CB-CG 3.59Å; N680-R682 PolarHBondContact O-N 3.17Å
681Y45.3Very low53.4Low146 Ų14697.2 Ų97.257%0.57349%0.489SS*.  trans-64.267.7166.1-75.2-90000105.2T54 E679T54-Y681 HydrophobicContact CG2-CD1 4.12Å; T54-Y681 HydrophobicContact CG2-CE1 4.12Å; T54-Y681 HydrophobicContact CG2-CG 4.43Å; E679-Y681 HydrophobicContact CB-CD2 4.4Å; E679-Y681 HydrophobicContact CB-CE2 4.21Å; E679-Y681 WeakPolarHBondContact O-CD2 3.47Å; E679-Y681 PolarHBondContact O-N 3.46Å
682R40.6Very low50.6Low158 Ų15899.9 Ų99.960%0.59652%0.524SS*.  trans-71.5134.7177.8-68.6-161.3170.3171.4-2.6105.6N680 D684N680-R682 HydrophobicContact CB-CG 3.59Å; N680-R682 PolarHBondContact O-N 3.17Å; R682-D684 HydrophobicContact CB-CB 4.47Å; R682-D684 VanDerWaalsContact CB-OD1 3.31Å; R682-D684 WeakPolarHBondContact CB-OD1 3.41Å; R682-D684 WeakPolarHBondContact CB-OD2 3.5Å; R682-D684 PolarHBondContact O-N 2.87Å
683E52.1Low47.8Very low100 Ų100103.9 Ų103.947%0.46756%0.555SS.*  trans-70.976.7169.6-61.4-175.4165.900107.8R82R82-E683 VanDerWaalsContact CZ-CD 3.48Å; R82-E683 IonicContact CZ-OE1 3.92Å; R82-E683 IonicContact CZ-OE2 3.42Å; R82-E683 IonicContact NH1-OE1 2.68Å; R82-E683 IonicContact NH1-OE2 3.41Å; R82-E683 IonicContact NH2-OE1 3.8Å; R82-E683 PolarHBondContact NH2-OE1 2.89Å; R82-E683 IonicContact NH2-OE2 3.66Å
684D59.9Low45.6Very low76 Ų76110.9 Ų110.941%0.40658%0.576SS.*  trans-107.4146.7-176.2-67.9-17.7000109.8R51 R682R51-D684 WeakPolarHBondContact CB-O 3.48Å; R51-D684 PolarHBondContact N-O 2.9Å; R51-D684 VanDerWaalsContact N-O 3.13Å; R682-D684 HydrophobicContact CB-CB 4.47Å; R682-D684 VanDerWaalsContact CB-OD1 3.31Å; R682-D684 WeakPolarHBondContact CB-OD1 3.41Å; R682-D684 WeakPolarHBondContact CB-OD2 3.5Å; R682-D684 PolarHBondContact O-N 2.87Å
685A59.5Low43.8Very low24 Ų24116.2 Ų116.220%0.19860%0.598CS.*EExtended strand (participates in β ladder)trans-114.8129.7166.100000107.7E49 L50 W84 A89E49-A685 WeakPolarHBondContact O-CA 3.32Å; L50-A685 HydrophobicContact CD2-CB 3.48Å; L50-A685 VanDerWaalsContact CD2-CB 3.48Å; W84-A685 HydrophobicContact CE3-CB 4.02Å; W84-A685 HydrophobicContact CZ3-CB 3.73Å; A89-A685 VanDerWaalsContact C-CB 3.46Å; A89-A685 HydrophobicContact CB-CB 4Å; A89-A685 WeakPolarHBondContact O-CB 3.25Å
686V69.3Low42.6Very low57 Ų57116.9 Ų116.935%0.34561%0.607SS.*EExtended strand (participates in β ladder)trans-127.6130.3-171.7-177.30000108.2G48 E49 F688G48-V686 CarbonylContact C-O 3.48Å; G48-V686 WeakPolarHBondContact CA-O 3.47Å; E49-V686 PolarHBondContact N-O 2.84Å; E49-V686 PolarHBondContact O-N 3.3Å; V686-F688 HydrophobicContact CG1-CE1 4Å; V686-F688 HydrophobicContact CG1-CZ 4.27Å
687M68.6Low41.7Very low71 Ų71114.2 Ų114.235%0.3560%0.595SS.*EExtended strand (participates in β ladder)trans-114145.3172.3-65.1-68.3-70.500109.6L38 C47 A89L38-M687 HydrophobicContact CD1-CE 4.36Å; L38-M687 HydrophobicContact CD1-SD 3.81Å; C47-M687 HydrophobicContact CB-CE 4.45Å; C47-M687 CarbonylContact O-C 3.59Å; C47-M687 WeakPolarHBondContact O-CA 3.25Å; A89-M687 HydrophobicContact CB-CB 4.37Å; A89-M687 HydrophobicContact CB-CG 3.33Å; A89-M687 HydrophobicContact CB-SD 4.35Å
688F67.9Low40.8Very low96 Ų96111.8 Ų111.842%0.42159%0.594SS.*  trans-105.1134.7177.8-52.2-68.7000108.9I46 C47 E49 V686 T690I46-F688 HydrophobicContact CG2-CD2 3.97Å; I46-F688 HydrophobicContact CG2-CE2 3.77Å; C47-F688 PolarHBondContact O-N 3.18Å; E49-F688 HydrophobicContact CG-CE2 4.23Å; V686-F688 HydrophobicContact CG1-CE1 4Å; V686-F688 HydrophobicContact CG1-CZ 4.27Å; F688-T690 PolarHBondContact O-N 2.87Å
689E42.6Very low40.1Very low200 Ų200114.6 Ų114.694%0.93560%0.598SS**  trans-68116.2172.9-73.8-173.8165.100109.3G691E689-G691 PolarHBondContact O-N 2.81Å; E689-G691 VanDerWaalsContact O-N 3.12Å
690T38.1Very low39.2Very low84 Ų84116.1 Ų116.152%0.51561%0.614SS.*  trans-7897.8172.3450000108.5F688 G692F688-T690 PolarHBondContact O-N 2.87Å; T690-G692 VanDerWaalsContact C-N 3.35Å; T690-G692 PolarHBondContact O-N 2.89Å
691G29.7Very low38.6Very low71 Ų71119.1 Ų119.173%0.73263%0.628SS**  trans-66.790.7173.400000110.8E689 S693E689-G691 PolarHBondContact O-N 2.81Å; E689-G691 VanDerWaalsContact O-N 3.12Å; G691-S693 PolarHBondContact O-N 3.38Å
692G24.4Very low37.6Very low84 Ų84117.2 Ų117.287%0.86664%0.637SS**  trans-64.593.3167.900000110.7T690T690-G692 VanDerWaalsContact C-N 3.35Å; T690-G692 PolarHBondContact O-N 2.89Å
693S24.1Very low36.9Very low103 Ų103118.3 Ų118.372%0.7265%0.653SS**  trans-142.9122.8158.272.10000110.1G691 Q695G691-S693 PolarHBondContact O-N 3.38Å; S693-Q695 PolarHBondContact O-N 3.22Å
694Y25.7Very low35.4Very low238 Ų238120.6 Ų120.693%0.93367%0.674SS**  trans-51.9115.3169.9-76.5-101.9000110.5
695Q22.6Very low33.8Very low148 Ų148120.3 Ų120.369%0.69269%0.689SS**  trans-142.4104.8143.8-80.5-163.1-26.200109S693 Q697S693-Q695 PolarHBondContact O-N 3.22Å; Q695-Q697 HydrophobicContact CB-CG 4.13Å; Q695-Q697 PolarHBondContact O-N 2.82Å
696T23.6Very low32.1Very low142 Ų142128.9 Ų128.987%0.87172%0.722SS**  trans-49.998.2140.839.30000106.8S698T696-S698 VanDerWaalsContact C-N 3.26Å; T696-S698 PolarHBondContact O-N 2.97Å
697Q23.6Very low30Very low121 Ų121130.5 Ų130.557%0.56574%0.742SS**  trans-75.286177-79.2-170.4-10.300109.1Q695 W699Q695-Q697 HydrophobicContact CB-CG 4.13Å; Q695-Q697 PolarHBondContact O-N 2.82Å; Q697-W699 PolarHBondContact O-N 3.39Å
698S21.3Very low28Very low97 Ų97131 Ų13168%0.67875%0.75SS**  trans-71.7104153.762.50000107.7T696 T700T696-S698 VanDerWaalsContact C-N 3.26Å; T696-S698 PolarHBondContact O-N 2.97Å; S698-T700 PolarHBondContact O-N 2.74Å
699W26.2Very low26.1Very low212 Ų212134.8 Ų134.880%0.80377%0.774SS**  trans-86.883.9171.3-72.2100.7000109.8Q697Q697-W699 PolarHBondContact O-N 3.39Å
700T22.4Very low25.4Very low112 Ų112131.2 Ų131.269%0.68776%0.755SS**  trans-91.6119.2160.139.70000110.2S698S698-T700 PolarHBondContact O-N 2.74Å
701L23.6Very low24.9Very low161 Ų161136 Ų13684%0.84377%0.772SS**  trans45.1109.2148.2-77.2129.4000118.9
702S23.6Very low24.7Very low106 Ų106140.7 Ų140.774%0.74178%0.779SS**  148.4109.8106.560.50000111.3
703L25.2Very low24.9Very low181 Ų181144.9 Ų144.995%0.94878%0.776SS**  trans-159.1114142.9-105.3139000109.8
704V22.5Very low25Very low148 Ų148145.2 Ų145.290%0.89777%0.774SS**  trans-76.3127.3177.8170.40000108.4
705G25.2Very low24.9Very low71 Ų71143.9 Ų143.973%0.73278%0.776SS**  trans-172.366.5-179.300000115.8
706K23.3Very low25.2Very low203 Ų203140.5 Ų140.588%0.88377%0.769SS**  trans40.6115.5152.1-69.6-176.9177.8179.50121.8
707A25.1Very low25.4Very low92 Ų92140.2 Ų140.276%0.7677%0.767SS**  83.6144128.100000120.4
708P27.5Very low25.6Very low80 Ų80144.9 Ų144.952%0.51979%0.786SS.*  trans-87.4146.3-169.835.5-31.4000112.1K710P708-K710 PolarHBondContact O-N 3.43Å
709L28.6Very low26.6Very low177 Ų177143.5 Ų143.593%0.92778%0.776SS**SBendtrans-66.476.7161.5-83.8151.8000109.8
710K27.1Very low27.3Very low125 Ų125138.2 Ų138.254%0.54376%0.758SS.*  trans-129.6135.1154.3-101.5177.3177162.10104.7D403 P708D403-K710 IonicContact OD1-NZ 2.76Å; D403-K710 IonicContact OD2-NZ 3.13Å; P708-K710 PolarHBondContact O-N 3.43Å
711Q27.9Very low29Very low185 Ų185135.4 Ų135.486%0.86474%0.741SS**  trans76.775.7168.4-57.5177.1-24.200116.6
712L26.2Very low30.5Very low168 Ų168127.7 Ų127.788%0.8870%0.701SS**  trans-119.768.1144.8-85.1166.9000109.1
713Q27.3Very low32.2Very low172 Ų172124.1 Ų124.180%0.80467%0.673SS**SBendtrans-128.2123.4136.7-83.9-167.5-2.100107.2
714T26.2Very low34Very low111 Ų111119.9 Ų119.968%0.68165%0.648SS**  trans-55.9139.4168.838.40000110.1S716T714-S716 PolarHBondContact O-N 2.65Å; T714-S716 PolarHBondContact OG1-OG 2.72Å
715E24.8Very low35.8Very low210 Ų210114.5 Ų114.598%0.98161%0.612SS**SBendtrans-57.282.8159-70.9-176.1145.800109.4
716S27.6Very low37.3Very low77 Ų77111.8 Ų111.854%0.53858%0.581SS.*  trans-153.9114.1169.162.80000108.8T714T714-S716 PolarHBondContact O-N 2.65Å; T714-S716 PolarHBondContact OG1-OG 2.72Å
717T27.4Very low39.3Very low136 Ų136105 Ų10583%0.83456%0.558SS**  trans75.589.8-168.469.50000113.6S719T717-S719 PolarHBondContact O-N 2.88Å
718K29.3Very low41.1Very low219 Ų219104.3 Ų104.395%0.95254%0.54SS*.  trans-5987.5156.8-78.2-176.4175.7-178.90107.7
719S40.6Very low42.5Very low68 Ų68102.1 Ų102.148%0.47653%0.525SS..PPolyproline II helixtrans-68.2132.1163.795.10000106.4T717 T721 R725T717-S719 PolarHBondContact O-N 2.88Å; S719-T721 PolarHBondContact O-N 3.11Å; S719-R725 PolarHBondContact OG-NH2 3.2Å; S719-R725 VanDerWaalsContact OG-NH2 3.11Å
720K42.7Very low43.9Very low100 Ų10097 Ų9744%0.43550%0.498SS..PPolyproline II helixtrans-54.1136.6-179.2-72.3179.5-172.9170.70109.6E724 R725 E728K720-E724 VanDerWaalsContact CA-OE2 3.23Å; K720-E724 WeakPolarHBondContact CA-OE2 3.48Å; K720-E724 HydrophobicContact CB-CB 3.98Å; K720-E724 HydrophobicContact CG-CB 4.48Å; K720-R725 HydrophobicContact CB-CG 3.98Å; K720-R725 VanDerWaalsContact O-CZ 3.26Å; K720-R725 PolarHBondContact O-NE 3.28Å; K720-R725 PolarHBondContact O-NH2 3.46Å; K720-R725 VanDerWaalsContact O-NH2 3.11Å; K720-E728 VanDerWaalsContact CD-OE1 3.27Å; K720-E728 WeakPolarHBondContact CD-OE1 3.24Å; K720-E728 VanDerWaalsContact CE-OE1 3.29Å; K720-E728 WeakPolarHBondContact CE-OE1 3.47Å; K720-E728 IonicContact NZ-OE1 2.54Å; K720-E728 PolarHBondContact NZ-OE1 2.76Å; K720-E728 IonicContact NZ-OE2 3.42Å; K720-E728 PolarHBondContact NZ-OE2 3.26Å
721T58.4Low45.4Very low53 Ų5398 Ų9833%0.32551%0.505SS..PPolyproline II helixtrans-59.8157.4175.159.80000110.4S719 I723 E724 R725S719-T721 PolarHBondContact O-N 3.11Å; T721-I723 PolarHBondContact O-N 3.36Å; T721-E724 PolarHBondContact N-OE2 2.85Å; T721-E724 WeakPolarHBondContact O-CB 3.35Å; T721-E724 PolarHBondContact O-N 3Å; T721-E724 VanDerWaalsContact OG1-CD 3.3Å; T721-E724 VanDerWaalsContact OG1-CG 3.25Å; T721-E724 WeakPolarHBondContact OG1-CG 3.43Å; T721-E724 PolarHBondContact OG1-N 3.15Å; T721-E724 PolarHBondContact OG1-OE2 3.44Å; T721-R725 WeakPolarHBondContact O-CG 3.19Å; T721-R725 PolarHBondContact O-N 2.67Å
722I54.9Low46.6Very low0 Ų094.8 Ų94.80%050%0.498CS..Hα-helixtrans-57.2-35.6179.7-57.2169.2000111.2M527 E568 V584 R725 L726M527-I722 HydrophobicContact CE-CB 4.23Å; M527-I722 HydrophobicContact CE-CD1 4.32Å; M527-I722 HydrophobicContact CE-CG2 3.41Å; M527-I722 VanDerWaalsContact CE-CG2 3.41Å; M527-I722 HydrophobicContact CG-CB 4.22Å; M527-I722 HydrophobicContact CG-CG2 4.33Å; M527-I722 HydrophobicContact SD-CB 4.34Å; M527-I722 HydrophobicContact SD-CG2 3.84Å; E568-I722 HydrophobicContact CB-CD1 4.23Å; E568-I722 HydrophobicContact CB-CG1 4.38Å; E568-I722 WeakPolarHBondContact O-CD1 3.35Å; V584-I722 HydrophobicContact CG1-CG2 3.65Å; I722-R725 PolarHBondContact O-N 3.36Å; I722-L726 HydrophobicContact CG2-CD1 4.1Å; I722-L726 HydrophobicContact CG2-CG 4.31Å; I722-L726 WeakPolarHBondContact O-CB 3.34Å; I722-L726 WeakPolarHBondContact O-CG 3.23Å; I722-L726 PolarHBondContact O-N 3.28Å
723I57.7Low47.5Very low31 Ų3195.1 Ų95.116%0.15949%0.492CS..Hα-helixtrans-63.5-45.4177-61.4172.7000111.2M527 S540 T721 R725 L726 S727M527-I723 HydrophobicContact CG-CG1 4.15Å; M527-I723 HydrophobicContact SD-CG1 4.46Å; S540-I723 WeakPolarHBondContact OG-CD1 3.23Å; T721-I723 PolarHBondContact O-N 3.36Å; I723-R725 VanDerWaalsContact C-N 3.31Å; I723-R725 PolarHBondContact O-N 3.41Å; I723-L726 PolarHBondContact O-N 3.24Å; I723-S727 PolarHBondContact O-N 3.37Å
724E64Low48Very low91 Ų9198.4 Ų98.443%0.42550%0.504SS..Hα-helixtrans-61.2-42.4176.2-73.4166.7163.600110.6K720 T721 S727 E728K720-E724 VanDerWaalsContact CA-OE2 3.23Å; K720-E724 WeakPolarHBondContact CA-OE2 3.48Å; K720-E724 HydrophobicContact CB-CB 3.98Å; K720-E724 HydrophobicContact CG-CB 4.48Å; T721-E724 PolarHBondContact N-OE2 2.85Å; T721-E724 WeakPolarHBondContact O-CB 3.35Å; T721-E724 PolarHBondContact O-N 3Å; T721-E724 VanDerWaalsContact OG1-CD 3.3Å; T721-E724 VanDerWaalsContact OG1-CG 3.25Å; T721-E724 WeakPolarHBondContact OG1-CG 3.43Å; T721-E724 PolarHBondContact OG1-N 3.15Å; T721-E724 PolarHBondContact OG1-OE2 3.44Å; E724-S727 PolarHBondContact O-N 2.86Å; E724-S727 PolarHBondContact O-OG 3.11Å; E724-E728 PolarHBondContact O-N 3.11Å
725R60.4Low49Very low35 Ų3597.8 Ų97.813%0.13250%0.495CS..Hα-helixtrans-64.9-41.7177-64.2172.2-172.6-174.86.5112.7D569 R585 S719 K720 T721 I722 I723 S727 E728 V729D569-R725 IonicContact OD1-CZ 3.11Å; D569-R725 IonicContact OD1-NH1 2.66Å; D569-R725 PolarHBondContact OD1-NH1 2.73Å; D569-R725 IonicContact OD2-CZ 3.95Å; D569-R725 IonicContact OD2-NH1 2.86Å; D569-R725 PolarHBondContact OD2-NH1 2.68Å; R585-R725 HydrophobicContact CG-CB 4.36Å; S719-R725 PolarHBondContact OG-NH2 3.2Å; S719-R725 VanDerWaalsContact OG-NH2 3.11Å; K720-R725 HydrophobicContact CB-CG 3.98Å; K720-R725 VanDerWaalsContact O-CZ 3.26Å; K720-R725 PolarHBondContact O-NE 3.28Å; K720-R725 PolarHBondContact O-NH2 3.46Å; K720-R725 VanDerWaalsContact O-NH2 3.11Å; T721-R725 WeakPolarHBondContact O-CG 3.19Å; T721-R725 PolarHBondContact O-N 2.67Å; I722-R725 PolarHBondContact O-N 3.36Å; I723-R725 VanDerWaalsContact C-N 3.31Å; I723-R725 PolarHBondContact O-N 3.41Å; R725-S727 VanDerWaalsContact C-N 3.3Å; R725-S727 PolarHBondContact O-N 2.86Å; R725-E728 PolarHBondContact O-N 2.8Å; R725-V729 PolarHBondContact O-N 3.04Å
726L55.8Low50.3Low15 Ų1591.9 Ų91.98%0.07947%0.47CS..Hα-helixtrans-62-38.9175.4-77.7169.7000111.5M527 V584 I722 I723 E728 V729 D730M527-L726 HydrophobicContact CE-CD1 4.2Å; M527-L726 HydrophobicContact SD-CD1 3.7Å; V584-L726 WeakPolarHBondContact O-CD2 3.27Å; I722-L726 HydrophobicContact CG2-CD1 4.1Å; I722-L726 HydrophobicContact CG2-CG 4.31Å; I722-L726 WeakPolarHBondContact O-CB 3.34Å; I722-L726 WeakPolarHBondContact O-CG 3.23Å; I722-L726 PolarHBondContact O-N 3.28Å; I723-L726 PolarHBondContact O-N 3.24Å; L726-E728 VanDerWaalsContact C-N 3.29Å; L726-E728 PolarHBondContact O-N 3.27Å; L726-V729 PolarHBondContact O-N 3.01Å; L726-D730 PolarHBondContact O-N 2.66Å
727S66.7Low51.6Low59 Ų5992.7 Ų92.741%0.41347%0.466SS..Hα-helixtrans-67.1-28.8178.573.30000113.5I723 E724 R725 Q731I723-S727 PolarHBondContact O-N 3.37Å; E724-S727 PolarHBondContact O-N 2.86Å; E724-S727 PolarHBondContact O-OG 3.11Å; R725-S727 VanDerWaalsContact C-N 3.3Å; R725-S727 PolarHBondContact O-N 2.86Å; S727-Q731 PolarHBondContact O-N 2.8Å
728E61.6Low53Low79 Ų7990.2 Ų90.237%0.36944%0.444SS..Hα-helixtrans-72.3-38.3176-73.8176.9178.500112.3K720 E724 R725 L726 D730 Q731 V732K720-E728 VanDerWaalsContact CD-OE1 3.27Å; K720-E728 WeakPolarHBondContact CD-OE1 3.24Å; K720-E728 VanDerWaalsContact CE-OE1 3.29Å; K720-E728 WeakPolarHBondContact CE-OE1 3.47Å; K720-E728 IonicContact NZ-OE1 2.54Å; K720-E728 PolarHBondContact NZ-OE1 2.76Å; K720-E728 IonicContact NZ-OE2 3.42Å; K720-E728 PolarHBondContact NZ-OE2 3.26Å; E724-E728 PolarHBondContact O-N 3.11Å; R725-E728 PolarHBondContact O-N 2.8Å; L726-E728 VanDerWaalsContact C-N 3.29Å; L726-E728 PolarHBondContact O-N 3.27Å; E728-D730 VanDerWaalsContact C-N 3.27Å; E728-D730 PolarHBondContact O-N 3.27Å; E728-Q731 PolarHBondContact O-N 3.14Å; E728-Q731 VanDerWaalsContact O-N 3.14Å; E728-V732 WeakPolarHBondContact O-CG2 3.36Å; E728-V732 PolarHBondContact O-N 3.34Å
729V56.7Low54.5Low34 Ų3482.1 Ų82.121%0.20641%0.412CS..Hα-helixtrans-62.9-39.2175.3178.70000110.5R585 R725 L726 Q731 V732 F733R585-V729 HydrophobicContact CG-CG2 4.37Å; R725-V729 PolarHBondContact O-N 3.04Å; L726-V729 PolarHBondContact O-N 3.01Å; V729-Q731 PolarHBondContact O-N 3.42Å; V729-V732 PolarHBondContact O-N 3.42Å; V729-F733 HydrophobicContact CG1-CD2 3.77Å; V729-F733 HydrophobicContact CG1-CE2 3.68Å; V729-F733 WeakPolarHBondContact O-CD2 3.29Å; V729-F733 PolarHBondContact O-N 2.54Å
730D58.2Low55.4Low68 Ų6883.1 Ų83.136%0.36441%0.408SS..Hα-helixtrans-64.5-25.6176.2-74.6-8000113.6R548 L726 E728R548-D730 IonicContact CZ-OD1 2.7Å; R548-D730 IonicContact CZ-OD2 3.51Å; R548-D730 IonicContact NH2-OD1 2.86Å; R548-D730 PolarHBondContact NH2-OD1 3.29Å; R548-D730 IonicContact NH2-OD2 2.76Å; R548-D730 PolarHBondContact NH2-OD2 3.38Å; L726-D730 PolarHBondContact O-N 2.66Å; E728-D730 VanDerWaalsContact C-N 3.27Å; E728-D730 PolarHBondContact O-N 3.27Å
731Q58.6Low56.3Low147 Ų14781.9 Ų81.969%0.68741%0.406SS*.Hα-helixtrans-79.2-22.4173.3-70.4-175.3-1.800112.9S727 E728 V729S727-Q731 PolarHBondContact O-N 2.8Å; E728-Q731 PolarHBondContact O-N 3.14Å; E728-Q731 VanDerWaalsContact O-N 3.14Å; V729-Q731 PolarHBondContact O-N 3.42Å
732V53.8Low56.2Low117 Ų11784.1 Ų84.171%0.70941%0.412SS*.Hα-helixtrans-83.8-21.8178.31760000112E728 V729E728-V732 WeakPolarHBondContact O-CG2 3.36Å; E728-V732 PolarHBondContact O-N 3.34Å; V729-V732 PolarHBondContact O-N 3.42Å
733F44.1Very low56.3Low176 Ų17691.1 Ų91.177%0.77245%0.447SS*.  trans-99.22.6177.4-75.4-75000114.8V729V729-F733 HydrophobicContact CG1-CD2 3.77Å; V729-F733 HydrophobicContact CG1-CE2 3.68Å; V729-F733 WeakPolarHBondContact O-CD2 3.29Å; V729-F733 PolarHBondContact O-N 2.54Å
734K37.7Very low56.1Low241 Ų24196.5 Ų96.5100%1.04847%0.473SS*.  trans-99.40165.9-79.1-177.5178.4178.60109.6

Retrieved 734 of 734 residues in 1349.4 ms (Link to these results)

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